1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone

C20H22O2 — CID 561518

IUPAC1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1(C(O)c2ccccc2)CCCC1
InChIInChI=1S/C20H22O2/c21-18(15-16-9-3-1-4-10-16)20(13-7-8-14-20)19(22)17-11-5-2-6-12-17/h1-6,9-12,19,22H,7-8,13-15H2
InChIKeyYKHRIUHECHDVCY-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.09
Rot. Bonds5

About 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone

1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone (PubChem CID 561518) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone
PubChem CID561518
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone
SMILESO=C(Cc1ccccc1)C1(C(O)c2ccccc2)CCCC1
InChIInChI=1S/C20H22O2/c21-18(15-16-9-3-1-4-10-16)20(13-7-8-14-20)19(22)17-11-5-2-6-12-17/h1-6,9-12,19,22H,7-8,13-15H2
InChIKeyYKHRIUHECHDVCY-UHFFFAOYSA-N
XLogP4.09
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone?
The IUPAC name of 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone (CID 561518) is 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone.
What is the SMILES notation for 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone?
The canonical SMILES for 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone is O=C(Cc1ccccc1)C1(C(O)c2ccccc2)CCCC1.
What is the InChIKey of 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone?
The InChIKey is YKHRIUHECHDVCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c21-18(15-16-9-3-1-4-10-16)20(13-7-8-14-20)19(22)17-11-5-2-6-12-17/h1-6,9-12,19,22H,7-8,13-15H2.
What are the key properties of 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone?
1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone has a molecular weight of 294.39 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[hydroxy(phenyl)methyl]cyclopentyl]-2-phenylethanone is sourced from PubChem (CID 561518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).