1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol

C16H24O2 — CID 129084956

IUPAC1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
SMILESOCCCC(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H24O2/c17-13-7-10-15(14-8-3-1-4-9-14)16(18)11-5-2-6-12-16/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKeyDTNBSDVHSBUWPB-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.24
Rot. Bonds5

About 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol

1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol (PubChem CID 129084956) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
PubChem CID129084956
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol
SMILESOCCCC(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H24O2/c17-13-7-10-15(14-8-3-1-4-9-14)16(18)11-5-2-6-12-16/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKeyDTNBSDVHSBUWPB-UHFFFAOYSA-N
XLogP3.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropoxy]cyclopentan-1-ol
CID 148947994
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
4-[1-(1-hydroxycyclohexyl)-4-methylpentyl]phenol
CID 143726784
1-[3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropyl]cyclohexan-1-ol
CID 151295162
1-[4-(4-benzylpiperazin-1-yl)-1-(4-methoxyphenyl)butyl]cyclohexan-1-ol
CID 21241505
4-fluoro-4-phenylbutan-1-ol
CID 57250871
(1S,2S)-2-(hydroxymethyl)-1-phenylpentane-1,5-diol
CID 10774811
1-[phenyl(pyrrol-1-yl)methyl]cyclohexan-1-ol
CID 3849059
4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol;hydrochloride
CID 45038987
[3-(1-hydroxycyclohexyl)-3-(4-methoxyphenyl)propyl]-methylazanium chloride
CID 162517103
1-(1-hydroxy-3-phenylpropyl)cyclopentan-1-ol
CID 103448481
5-hydroxy-2-phenylpentanoic acid
CID 79006638

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol?
The IUPAC name of 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol (CID 129084956) is 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol?
The canonical SMILES for 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol is OCCCC(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol?
The InChIKey is DTNBSDVHSBUWPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O2/c17-13-7-10-15(14-8-3-1-4-9-14)16(18)11-5-2-6-12-16/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2.
What are the key properties of 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol?
1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol has a molecular weight of 248.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-1-phenylbutyl)cyclohexan-1-ol is sourced from PubChem (CID 129084956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).