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(S)-1-Phenylethanol

CAS: 1445-91-6 | C8H10O

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number
1445-91-6
Molecular Formula
C8H10O
Molecular Mass
122.17 g/mol

Identifiers

CAS Registry Number

1445-91-6

SMILES

C[C@H](O)c1ccccc1

InChI Key

WAPNOHKVXSQRPX-ZETCQYMHSA-N

InChI

InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1

Names and Synonyms

  • (S)-1-Phenylethanol Common Name
  • Benzenemethanol, α-methyl-, (αS)- Synonym
  • Benzyl alcohol, α-methyl-, (S)-(-)- Synonym
  • Benzenemethanol, α-methyl-, (S)- Synonym
  • Benzyl alcohol, α-methyl-, l- Synonym
  • α-methyl-Benzyl alcohol, α-methyl-, (-)- Synonym
  • (αS)-α-Methylbenzenemethanol Synonym
  • (S)-(-)-Methylphenylcarbinol Synonym
  • (S)-(-)-α-Methylbenzyl alcohol Synonym
  • (S)-(-)-1-Phenylethanol Synonym
  • (S)-α-Methylbenzyl alcohol Synonym
  • S-(-)-1-Phenyl-1-ethanol Synonym
  • (S)-(-)-α-Phenylethanol Synonym
  • (S)-1-Phenylethanol Synonym
  • (-)-1-Phenylethanol Synonym
  • (-)-α-Phenylethanol Synonym
  • (S)-1-Phenyl-1-ethanol Synonym
  • l-1-Phenylethanol Synonym
  • L-(-)-α-Phenylethanol Synonym
  • (-)-α-Methylbenzyl alcohol Synonym
  • (S)-sec-Phenethyl alcohol Synonym
  • l-α-Phenethyl alcohol Synonym
  • (S)-1-Phenylethyl alcohol Synonym
  • (S)-(-)-1-Phenylethyl alcohol Synonym
  • (S)-α-Methylbenzenemethanol Synonym
  • (S)-α-Phenethyl alcohol Synonym
  • (S)-α-Phenylethanol Synonym
  • (-)-1-Phenyl-1-ethanol Synonym
  • (S)-(-)-α-Phenethyl alcohol Synonym
  • (S)-Phenylmethylcarbinol Synonym
  • (-)-sec-Phenethyl alcohol Synonym
  • (S)-α-Hydroxyethylbenzene Synonym
  • (-)-1-Phenylethyl alcohol Synonym
  • (-)-α-Phenethyl alcohol Synonym
  • (S)-(-)-sec-Phenethyl alcohol Synonym
  • (S)-1-Phenethyl alcohol Synonym
  • (S)-Phenylethanol Synonym
  • (1S)-1-Phenylethanol Synonym
  • (-)-(S)-1-Phenylethanol Synonym
  • (S)-(-)-Phenylethanol Synonym
  • (1S)-1-Phenylethan-1-ol Synonym

All Properties

Comprehensive physical and chemical properties

Property Value Source
Molecular Mass 122.17 g/mol CAS Common Chemistry
122.16699999999996 g/mol RDKit
122.167 g/mol RDKit
Canonical SMILES OC(C=1C=CC=CC1)C CAS Common Chemistry
InChI InChI=1S/C8H10O/c1-7(9)8-5-3-2-4-6-8/h2-7,9H,1H3/t7-/m0/s1 CAS Common Chemistry
InChI Key InChIKey=WAPNOHKVXSQRPX-ZETCQYMHSA-N CAS Common Chemistry
Name (S)-1-Phenylethanol CAS Common Chemistry
Heavy Atom Count 9 RDKit
Hydrogen Bond Acceptors 1 RDKit
Hydrogen Bond Donors 1 RDKit
Rotatable Bonds 1 RDKit
Aromatic Ring Count 1 RDKit
Topological Polar Surface Area 20.23 Ų RDKit
LogP 1.7399 RDKit
1.76 chempirical lib
Molar Refractivity 37.07580000000001 cm³/mol RDKit
Ring Count 1 RDKit
Formal Charge 0 RDKit
Fraction Csp3 0.25 RDKit
Exact Mass 122.07316494 g/mol RDKit
Boiling Point 93 °C @ 14 Torr CAS Common Chemistry

Spectral Data

NMR, IR, and Mass spectral data

Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

Related

Related molecules

Other compounds with formula C8H10O.

Benzene, 1-methoxy-3-methyl- CAS 100-84-5 Phenol, 2,4-dimethyl- CAS 105-67-9 Ethyl Phenyl Ether CAS 103-73-1 Benzene, 1-methoxy-4-methyl- CAS 104-93-8 1-Phenylethanol CAS 13323-81-4 Phenol, 3,5-dimethyl- CAS 108-68-9

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