5-phenylcyclohexane-1,3-diol

C12H16O2 — CID 14135723

IUPAC5-phenylcyclohexane-1,3-diol
SMILESOC1CC(O)CC(c2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyNOOSTNOTQHTTLU-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.68
Rot. Bonds1

About 5-phenylcyclohexane-1,3-diol

5-phenylcyclohexane-1,3-diol (PubChem CID 14135723) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-phenylcyclohexane-1,3-diol.

Molecular Properties

Compound Name5-phenylcyclohexane-1,3-diol
PubChem CID14135723
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name5-phenylcyclohexane-1,3-diol
SMILESOC1CC(O)CC(c2ccccc2)C1
InChIInChI=1S/C12H16O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2
InChIKeyNOOSTNOTQHTTLU-UHFFFAOYSA-N
XLogP1.68
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1R,3R)-3-phenylcycloheptan-1-ol
CID 95376716
3-(cyclododecylamino)-5-phenylcyclohexan-1-ol
CID 155454677
trans-(3S,5S)-3-hydroxy-5-phenylcyclohexan-1-one
CID 13216005
(3R,5R)-1-benzyl-5-phenylpiperidin-3-ol
CID 12900714
benzene;cyclopropylbenzene
CID 144638417
2-(3-phenylcyclobutyl)ethanol
CID 132580222
4-phenylcycloheptan-1-ol
CID 86167768
3-phenyl-5-[[(8S)-3-tricyclo[4.3.1.13,8]undecanyl]amino]cyclohexan-1-ol
CID 155454288
(2S,4S,6S)-2-methyl-6-phenyloxan-4-ol
CID 134981811
3-phenylcyclobutane-1-carbaldehyde
CID 45083349
(2S,4R,6R)-2-(4-bromophenyl)-6-phenyloxan-4-ol
CID 101086395
2,4,6-triphenylthiane 1,1-dioxide
CID 15620369

Frequently Asked Questions

What is the IUPAC name of 5-phenylcyclohexane-1,3-diol?
The IUPAC name of 5-phenylcyclohexane-1,3-diol (CID 14135723) is 5-phenylcyclohexane-1,3-diol.
What is the SMILES notation for 5-phenylcyclohexane-1,3-diol?
The canonical SMILES for 5-phenylcyclohexane-1,3-diol is OC1CC(O)CC(c2ccccc2)C1.
What is the InChIKey of 5-phenylcyclohexane-1,3-diol?
The InChIKey is NOOSTNOTQHTTLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-11-6-10(7-12(14)8-11)9-4-2-1-3-5-9/h1-5,10-14H,6-8H2.
What are the key properties of 5-phenylcyclohexane-1,3-diol?
5-phenylcyclohexane-1,3-diol has a molecular weight of 192.26 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylcyclohexane-1,3-diol is sourced from PubChem (CID 14135723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).