2-methoxy-1,5-diphenylpentan-3-one

C18H20O2 — CID 50994790

IUPAC2-methoxy-1,5-diphenylpentan-3-one
SMILESCOC(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(14-16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyRWMPVEKBKLSIRV-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.45
Rot. Bonds7

About 2-methoxy-1,5-diphenylpentan-3-one

2-methoxy-1,5-diphenylpentan-3-one (PubChem CID 50994790) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-methoxy-1,5-diphenylpentan-3-one.

Molecular Properties

Compound Name2-methoxy-1,5-diphenylpentan-3-one
PubChem CID50994790
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-methoxy-1,5-diphenylpentan-3-one
SMILESCOC(Cc1ccccc1)C(=O)CCc1ccccc1
InChIInChI=1S/C18H20O2/c1-20-18(14-16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3
InChIKeyRWMPVEKBKLSIRV-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methoxy-1,5-diphenylpentan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxy-1-phenylheptan-3-one
CID 116708295
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
5-methoxy-1-phenylheptan-4-one
CID 116707095
2-methoxy-3-phenylpropanethioic S-acid
CID 154225885
2-hydroxy-1,5-diphenylpentan-3-one
CID 14469744
methyl 2-methyl-3-oxo-5-phenylpentanoate
CID 12583050
4-bromo-1-phenylpentan-3-one
CID 121216753
4-ethyl-1-phenylhexan-3-one
CID 71072308
(4R)-4-amino-5-methyl-1-phenylhexan-3-one;hydrochloride
CID 54757376
4-hydroxy-1-phenylhexan-3-one
CID 103453087
(1-bromo-2-oxo-4-phenylbutyl) dimethyl phosphate
CID 88780381
lanthanum;3-phenylpropanoic acid
CID 174887955

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1,5-diphenylpentan-3-one?
The IUPAC name of 2-methoxy-1,5-diphenylpentan-3-one (CID 50994790) is 2-methoxy-1,5-diphenylpentan-3-one.
What is the SMILES notation for 2-methoxy-1,5-diphenylpentan-3-one?
The canonical SMILES for 2-methoxy-1,5-diphenylpentan-3-one is COC(Cc1ccccc1)C(=O)CCc1ccccc1.
What is the InChIKey of 2-methoxy-1,5-diphenylpentan-3-one?
The InChIKey is RWMPVEKBKLSIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-20-18(14-16-10-6-3-7-11-16)17(19)13-12-15-8-4-2-5-9-15/h2-11,18H,12-14H2,1H3.
What are the key properties of 2-methoxy-1,5-diphenylpentan-3-one?
2-methoxy-1,5-diphenylpentan-3-one has a molecular weight of 268.36 g/mol, XLogP of 3.45, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1,5-diphenylpentan-3-one is sourced from PubChem (CID 50994790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).