1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone

C16H16O3 — CID 21460495

IUPAC1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(OC)c(-c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16O3/c1-11(17)12-5-4-6-13(9-12)15-10-14(18-2)7-8-16(15)19-3/h4-10H,1-3H3
InChIKeyNECFBDSIUWREHB-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone (PubChem CID 21460495) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
PubChem CID21460495
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
SMILESCOc1ccc(OC)c(-c2cccc(C(C)=O)c2)c1
InChIInChI=1S/C16H16O3/c1-11(17)12-5-4-6-13(9-12)15-10-14(18-2)7-8-16(15)19-3/h4-10H,1-3H3
InChIKeyNECFBDSIUWREHB-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone 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-(2,5-dimethoxyphenyl)phenyl]propan-1-one
CID 61033997
1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
CID 20716225
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
1-(3-acetylphenyl)ethanone;1-methoxy-4-(4-methoxyphenyl)benzene;1-(4-methoxyphenyl)ethanone
CID 161177780
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
1-[3-(2,6-difluoro-4-methoxyphenyl)phenyl]ethanone
CID 54911823
3-amino-5-(2,5-dimethoxyphenyl)benzoic acid
CID 53227230
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
(3S)-3-amino-3-[3-(2,5-dimethoxyphenyl)phenyl]propanoic acid
CID 135366938

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone (CID 21460495) is 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone is COc1ccc(OC)c(-c2cccc(C(C)=O)c2)c1.
What is the InChIKey of 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone?
The InChIKey is NECFBDSIUWREHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(17)12-5-4-6-13(9-12)15-10-14(18-2)7-8-16(15)19-3/h4-10H,1-3H3.
What are the key properties of 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone?
1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone has a molecular weight of 256.30 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 21460495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).