(S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol

C₂₀H₂₂O₂CAS 65355-00-2294.39 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₂₀H₂₂O₂
Molar mass: 294.39 g/mol
Exact mass: 294.1620 Da
logP: 4.52Crippen estimate
Polar surface area: 40.5 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

65355-00-2

SMILES

C1CCC2=C(C1)C=CC(=C2C3=C(C=CC4=C3CCCC4)O)O

InChIKey

UTXIFKBYNJRJPH-UHFFFAOYSA-N

InChI

InChI=1S/C20H22O2/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h9-12,21-22H,1-8H2

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Names and synonyms

1 names

(R)-(+)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol

Work with (S)-(-)-5,5',6,6',7,7',8,8'-Octahydro-1,1'-bi-2-naphthol

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

5,6,7,8-Tetrahydro-1-naphthol529-35-159 % similar 1,2,3,4,5,6,7,8-Octahydrophenanthrene5325-97-359 % similar 4-Indanol1641-41-454 % similar 8-Hydroxyjulolidine41175-50-252 % similar 5,6,7,8-Tetrahydro-2-naphthol1125-78-641 % similar Amylmetacresol1300-94-339 % similar Hexylresorcinol136-77-639 % similar 4-Dodecylresorcinol24305-56-439 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(3R,4R)-3,4-Di-O-benzyl-1,5-hexadiene-3,4-diol112571-38-7

Elsewhere

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