1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one

C16H22O2 — CID 557977

IUPAC1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one
SMILESCCCCC(=O)C1(C(O)c2ccccc2)CCC1
InChIInChI=1S/C16H22O2/c1-2-3-10-14(17)16(11-7-12-16)15(18)13-8-5-4-6-9-13/h4-6,8-9,15,18H,2-3,7,10-12H2,1H3
InChIKeyRIJLBPXWVIRBEP-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.65
Rot. Bonds6

About 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one

1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one (PubChem CID 557977) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one.

Molecular Properties

Compound Name1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one
PubChem CID557977
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one
SMILESCCCCC(=O)C1(C(O)c2ccccc2)CCC1
InChIInChI=1S/C16H22O2/c1-2-3-10-14(17)16(11-7-12-16)15(18)13-8-5-4-6-9-13/h4-6,8-9,15,18H,2-3,7,10-12H2,1H3
InChIKeyRIJLBPXWVIRBEP-UHFFFAOYSA-N
XLogP3.65
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.65
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]cyclobutyl]pentan-1-one?
The IUPAC name of 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one (CID 557977) is 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one.
What is the SMILES notation for 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one?
The canonical SMILES for 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one is CCCCC(=O)C1(C(O)c2ccccc2)CCC1.
What is the InChIKey of 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one?
The InChIKey is RIJLBPXWVIRBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-2-3-10-14(17)16(11-7-12-16)15(18)13-8-5-4-6-9-13/h4-6,8-9,15,18H,2-3,7,10-12H2,1H3.
What are the key properties of 1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one?
1-[1-[hydroxy(phenyl)methyl]cyclobutyl]pentan-1-one has a molecular weight of 246.35 g/mol, XLogP of 3.65, 6 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]cyclobutyl]pentan-1-one is sourced from PubChem (CID 557977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).