1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one

C18H20O2 — CID 94278974

IUPAC1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
SMILESCCOc1ccc(-c2cccc(C(=O)C(C)C)c2)cc1
InChIInChI=1S/C18H20O2/c1-4-20-17-10-8-14(9-11-17)15-6-5-7-16(12-15)18(19)13(2)3/h5-13H,4H2,1-3H3
InChIKeyHFEISGHCJZRCLJ-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.59
Rot. Bonds5

About 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one

1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one (PubChem CID 94278974) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
PubChem CID94278974
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one
SMILESCCOc1ccc(-c2cccc(C(=O)C(C)C)c2)cc1
InChIInChI=1S/C18H20O2/c1-4-20-17-10-8-14(9-11-17)15-6-5-7-16(12-15)18(19)13(2)3/h5-13H,4H2,1-3H3
InChIKeyHFEISGHCJZRCLJ-UHFFFAOYSA-N
XLogP4.59
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-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

1-[3-(4-ethoxyphenyl)phenyl]propan-1-one
CID 54912382
[3-(4-ethoxyphenyl)phenyl]-pyrrolidin-1-ylmethanone
CID 162660899
butan-2-yl 3-(4-acetyloxyphenyl)benzoate
CID 2891518
1-[3-(4-ethoxyphenyl)phenyl]ethanamine
CID 54912028
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-(4-phenylphenyl)acetate
CID 7704381
[4-(cyclopropylmethyl)piperazin-1-yl]-[3-(4-ethoxyphenyl)phenyl]methanone
CID 119069998
2-ethoxy-1-(3-ethoxyphenyl)butan-1-one
CID 116707614
2-[3-[4-[3-(4-ethoxyphenyl)prop-2-ynoxy]phenyl]phenyl]acetic acid
CID 59219336
3-[4-[[3-(4-ethoxyphenyl)phenyl]methoxy]phenyl]butanoic acid
CID 71188659
2-methyl-1-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-one
CID 94301681
4-(4-ethoxyphenyl)benzamide
CID 163572533
ethyl 3-(4-ethoxycarbonylphenyl)benzoate
CID 10859487

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one (CID 94278974) is 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one is CCOc1ccc(-c2cccc(C(=O)C(C)C)c2)cc1.
What is the InChIKey of 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one?
The InChIKey is HFEISGHCJZRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-4-20-17-10-8-14(9-11-17)15-6-5-7-16(12-15)18(19)13(2)3/h5-13H,4H2,1-3H3.
What are the key properties of 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one?
1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethoxyphenyl)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 94278974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).