1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone

C17H24O2 — CID 550224

IUPAC1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone
SMILESCCCC(O)C1(C(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24O2/c1-2-8-15(18)17(11-6-7-12-17)16(19)13-14-9-4-3-5-10-14/h3-5,9-10,15,18H,2,6-8,11-13H2,1H3
InChIKeyPQORQXIDHJKRBM-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.52
Rot. Bonds6

About 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone

1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone (PubChem CID 550224) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone.

Molecular Properties

Compound Name1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone
PubChem CID550224
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone
SMILESCCCC(O)C1(C(=O)Cc2ccccc2)CCCC1
InChIInChI=1S/C17H24O2/c1-2-8-15(18)17(11-6-7-12-17)16(19)13-14-9-4-3-5-10-14/h3-5,9-10,15,18H,2,6-8,11-13H2,1H3
InChIKeyPQORQXIDHJKRBM-UHFFFAOYSA-N
XLogP3.52
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone?
The IUPAC name of 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone (CID 550224) is 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone.
What is the SMILES notation for 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone?
The canonical SMILES for 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone is CCCC(O)C1(C(=O)Cc2ccccc2)CCCC1.
What is the InChIKey of 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone?
The InChIKey is PQORQXIDHJKRBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-8-15(18)17(11-6-7-12-17)16(19)13-14-9-4-3-5-10-14/h3-5,9-10,15,18H,2,6-8,11-13H2,1H3.
What are the key properties of 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone?
1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone has a molecular weight of 260.38 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-hydroxybutyl)cyclopentyl]-2-phenylethanone is sourced from PubChem (CID 550224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).