5-methoxy-1,1-diphenylpentan-2-one

C18H20O2 — CID 115601489

IUPAC5-methoxy-1,1-diphenylpentan-2-one
SMILESCOCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3
InChIKeyFONRBCCZFVCLQQ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.81
Rot. Bonds7

About 5-methoxy-1,1-diphenylpentan-2-one

5-methoxy-1,1-diphenylpentan-2-one (PubChem CID 115601489) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-methoxy-1,1-diphenylpentan-2-one.

Molecular Properties

Compound Name5-methoxy-1,1-diphenylpentan-2-one
PubChem CID115601489
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name5-methoxy-1,1-diphenylpentan-2-one
SMILESCOCCCC(=O)C(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20O2/c1-20-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3
InChIKeyFONRBCCZFVCLQQ-UHFFFAOYSA-N
XLogP3.81
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-hydroxy-5-methoxy-1-phenylpentan-2-one
CID 103458057
3-methoxy-1,1-diphenylpropan-2-one
CID 19419205
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
4-methoxy-1-phenylbutan-1-one;hydrochloride
CID 172691483
N-(4-oxo-5,5-diphenylpentyl)methanesulfonamide
CID 24751947
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899
2-[2-(4-methoxybutoxy)phenyl]-2-phenylacetamide
CID 69070306
4-methoxy-N-(2,2,2-trifluoro-1-phenylethyl)butanamide
CID 122506545
(5R)-6-methyl-1-[2-[2-[(5S)-6-methyl-4-oxo-5-phenylheptoxy]ethoxy]ethoxy]-5-phenylheptan-4-one
CID 161483364
2-(3-methoxypropylsulfanyl)-2-phenylacetic acid
CID 63857542
N-[(1S)-2-hydroxy-1-phenylethyl]-5-methoxypentanamide
CID 110001835
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,1-diphenylpentan-2-one?
The IUPAC name of 5-methoxy-1,1-diphenylpentan-2-one (CID 115601489) is 5-methoxy-1,1-diphenylpentan-2-one.
What is the SMILES notation for 5-methoxy-1,1-diphenylpentan-2-one?
The canonical SMILES for 5-methoxy-1,1-diphenylpentan-2-one is COCCCC(=O)C(c1ccccc1)c1ccccc1.
What is the InChIKey of 5-methoxy-1,1-diphenylpentan-2-one?
The InChIKey is FONRBCCZFVCLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-14-8-13-17(19)18(15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,18H,8,13-14H2,1H3.
What are the key properties of 5-methoxy-1,1-diphenylpentan-2-one?
5-methoxy-1,1-diphenylpentan-2-one has a molecular weight of 268.36 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,1-diphenylpentan-2-one is sourced from PubChem (CID 115601489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).