5-phenylpentan-2-one

C11H14O — CID 16701

IUPAC5-phenylpentan-2-one
SMILESCC(=O)CCCc1ccccc1
InChIInChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
InChIKeyDGMYRPFYNFQCHM-UHFFFAOYSA-N
MW162.23 g/mol
LogP2.60
Rot. Bonds4

About 5-phenylpentan-2-one

5-phenylpentan-2-one (PubChem CID 16701) has the molecular formula C11H14O and a molecular weight of 162.23 g/mol. Its IUPAC name is 5-phenylpentan-2-one.

Molecular Properties

Compound Name5-phenylpentan-2-one
PubChem CID16701
Molecular FormulaC11H14O
Molecular Weight162.23 g/mol
Exact Mass162.10
IUPAC Name5-phenylpentan-2-one
SMILESCC(=O)CCCc1ccccc1
InChIInChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3
InChIKeyDGMYRPFYNFQCHM-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.23
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-[4-(4-oxopentyl)phenyl]-4-phenylbutanamide
CID 21335633
4-phenylbutan-1-amine;4-phenylbutan-2-one
CID 143577690
5-methylhexan-2-one;4-phenylbutanamide
CID 166139456
5-(4-butylphenyl)pentan-2-one;ethane
CID 143473141
phenol;4-phenylbutan-2-one
CID 160537429
methane;5-(4-methylphenyl)pentan-2-one
CID 159376155
4-phenylbutanoyl chloride
CID 11789865
4-phenylbutan-2-one;prop-1-ene
CID 166128425
4-phenyl-1-trimethylsilylbutan-1-one
CID 11138658
13-phenyltridecane-2,4-dione
CID 19792481
ethane;5-(3-hydroxyphenyl)pentan-2-one
CID 142810997
5-(3-acetylphenyl)pentan-2-one
CID 11052734

Frequently Asked Questions

What is the IUPAC name of 5-phenylpentan-2-one?
The IUPAC name of 5-phenylpentan-2-one (CID 16701) is 5-phenylpentan-2-one.
What is the SMILES notation for 5-phenylpentan-2-one?
The canonical SMILES for 5-phenylpentan-2-one is CC(=O)CCCc1ccccc1.
What is the InChIKey of 5-phenylpentan-2-one?
The InChIKey is DGMYRPFYNFQCHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O/c1-10(12)6-5-9-11-7-3-2-4-8-11/h2-4,7-8H,5-6,9H2,1H3.
What are the key properties of 5-phenylpentan-2-one?
5-phenylpentan-2-one has a molecular weight of 162.23 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylpentan-2-one is sourced from PubChem (CID 16701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).