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C₂₄H₃₄O₂CAS 2416-95-7354.53 g/mol

Open in Covalent MOL file

Phenol

Properties

Molecular formula: C₂₄H₃₄O₂
Molar mass: 354.53 g/mol
Exact mass: 354.2559 Da
logP: 7.26Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 5

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation83.3% of notifiers
H319 Causes serious eye irritation83.3% of notifiers
H335 May cause respiratory irritation83.3% of notifiers
H410 Very toxic to aquatic life with long lasting effects66.7% of notifiers

Aggregated from 6 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, P501

Identifiers

CAS number

2416-95-7

SMILES

CC(C)C1=CC(=CC(=C1O)C(C)C)C2=CC(=C(C(=C2)C(C)C)O)C(C)C

InChIKey

QAISRHCMPQROAX-UHFFFAOYSA-N

InChI

InChI=1S/C24H34O2/c1-13(2)19-9-17(10-20(14(3)4)23(19)25)18-11-21(15(5)6)24(26)22(12-18)16(7)8/h9-16,25-26H,1-8H3

Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR

Predicted ¹H NMR (400 MHz, CDCl₃) δ 7.30 (s, 4H), 5.30 (br s, 2H), 2.89 (sept, J = 7.0 Hz, 4H), 1.21 (d, J = 7.0 Hz, 24H).

¹³C NMR

Predicted ¹³C NMR (101 MHz, CDCl₃) δ 150.3, 136.2, 134.0, 124.2, 38.0, 24.4.

[M + H]+

[M + H]+ Calcd for C24H35O2 355.2632

[M + Na]+

[M + Na]+ Calcd for C24H34NaO2 377.2451

[M − H]−

[M − H]− Calcd for C24H33O2 353.2486

Elemental analysis

Anal. Calcd for C24H34O2: C, 81.31; H, 9.67.

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 name

3,3',5,5'-Tetraisopropylbiphenyl-4,4'-diol

Work with Dipropofo

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Propofol2078-54-858 % similar Thymol89-83-843 % similar 3,5-Diisopropylsalicylic acid2215-21-643 % similar 4-Isopropylresorcinol23504-03-240 % similar 3,3',5,5'-Tetramethylbiphenyl-4,4'-diol2417-04-140 % similar 2-Isopropylphenol88-69-739 % similar 3-Methyl-4-isopropylphenol3228-02-239 % similar 3-Methyl-4-isopropylphenol39660-61-239 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Naphthyl myristate7262-80-8

Elsewhere

PubChem CAS Common Chemistry NIST WebBook