2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one

C18H24O2 — CID 79417154

IUPAC2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1CC1(O)CCCC1
InChIInChI=1S/C18H24O2/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18(20)10-4-5-11-18/h1-3,6-7,15-16,20H,4-5,8-13H2
InChIKeyICRHQDJXWHPMFF-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.83
Rot. Bonds3

About 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one

2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one (PubChem CID 79417154) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one
PubChem CID79417154
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one
SMILESO=C1CCC(c2ccccc2)CC1CC1(O)CCCC1
InChIInChI=1S/C18H24O2/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18(20)10-4-5-11-18/h1-3,6-7,15-16,20H,4-5,8-13H2
InChIKeyICRHQDJXWHPMFF-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one (CID 79417154) is 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one is O=C1CCC(c2ccccc2)CC1CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one?
The InChIKey is ICRHQDJXWHPMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c19-17-9-8-15(14-6-2-1-3-7-14)12-16(17)13-18(20)10-4-5-11-18/h1-3,6-7,15-16,20H,4-5,8-13H2.
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one?
2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one has a molecular weight of 272.39 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl]-4-phenylcyclohexan-1-one is sourced from PubChem (CID 79417154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).