1-Phenylcyclohexanemethanol

HCID 198517
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Basic information

CAS
68692-77-3
Standard SMILES
OCC1(c2ccccc2)CCCCC1
InChIKey
NZIDEIRWYRJYAI-UHFFFAOYSA-N
Molecular formula
C13H18O
Average molar mass
190.28 g/mol
Monoisotopic mass
190.1357652

Names & identifiers

Preferred name
1-Phenylcyclohexanemethanol
IUPAC
(1-phenylcyclohexyl)methanol
English name
(1-phenylcyclohexane)methanol
Molecular formula
C13H18O
Molecular weight
190.28

Names & synonyms

68692-77-3Cyclohexanemethanol, 1-phenyl-1-phenylcyclohexanemethanolDTXSID60218826RefChem:1056337DTXCID10141317272-081-2(1-phenylcyclohexyl)methanol(1-Phenylcyclohexane)methanol1-Phenyl cyclohexanemethanolBRN 2329234EINECS 272-081-2
Show more names
4-06-00-03934 (Beilstein Handbook Reference)(1-phenyl-cyclohexyl)-methanolSCHEMBL2856019AKOS006276530DB-421763NS00036675

Database identifiers

CAS
68692-77-3
PubChem CID
198517
DTXSID
DTXSID60218826
EC Number
272-081-2
Nikkaji
J75.420J

Properties

Computed structural properties

XLogP
3.4
Topological polar surface area
20.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
14

Physicochemical properties

Melting point
54 · 54-56 °C(Solv: hexane (110-54-3))
Boiling point
118 · 118-120 °C(Press: 0.01 Torr)
Density
1.014 · 1.014±0.06 g/cm3(Predicted)
pka
15.05 · 15.05±0.10(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers1 total

山东领海生物科技有限公司15092083467 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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