1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone

C16H16O3 — CID 20716225

IUPAC1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C16H16O3/c1-11(17)12-7-8-15(16(10-12)19-3)13-5-4-6-14(9-13)18-2/h4-10H,1-3H3
InChIKeyWSBWPYSFPCJVDY-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.57
Rot. Bonds4

About 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone

1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone (PubChem CID 20716225) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
PubChem CID20716225
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone
SMILESCOc1cccc(-c2ccc(C(C)=O)cc2OC)c1
InChIInChI=1S/C16H16O3/c1-11(17)12-7-8-15(16(10-12)19-3)13-5-4-6-14(9-13)18-2/h4-10H,1-3H3
InChIKeyWSBWPYSFPCJVDY-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

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Related Compounds

1-[3-(2,5-dimethoxyphenyl)phenyl]ethanone
CID 21460495
4-methoxy-3-(3-methoxyphenyl)benzamide
CID 123866555
2-methoxy-1-[3-methoxy-4-(3-methoxyphenyl)phenyl]-4-(2-methoxyphenyl)benzene
CID 174295636
(4-acetyl-2-methoxyphenyl) 3-methoxybenzoate
CID 8868766
1-[3-(4-methoxynaphthalen-1-yl)phenyl]ethanone
CID 61033105
1-[3-(3-fluorophenyl)-4-methoxyphenyl]ethanone
CID 82541241
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
1-[3-methoxy-4-[[2-(3-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]phenyl]ethanone
CID 26036629
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091

Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone?
The IUPAC name of 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone (CID 20716225) is 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone?
The canonical SMILES for 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone is COc1cccc(-c2ccc(C(C)=O)cc2OC)c1.
What is the InChIKey of 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone?
The InChIKey is WSBWPYSFPCJVDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-11(17)12-7-8-15(16(10-12)19-3)13-5-4-6-14(9-13)18-2/h4-10H,1-3H3.
What are the key properties of 1-[3-methoxy-4-(3-methoxyphenyl)phenyl]ethanone?
1-[3-methoxy-4-(3-methoxyphenyl)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-methoxy-4-(3-methoxyphenyl)phenyl]ethanone is sourced from PubChem (CID 20716225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).