1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone

C17H16O4 — CID 102341182

IUPAC1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
SMILESCOc1ccc(C(=O)c2ccccc2C(C)=O)cc1OC
InChIInChI=1S/C17H16O4/c1-11(18)13-6-4-5-7-14(13)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-10H,1-3H3
InChIKeyBTHVKACONJWVAA-UHFFFAOYSA-N
MW284.31 g/mol
LogP3.14
Rot. Bonds5

About 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone

1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone (PubChem CID 102341182) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
PubChem CID102341182
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone
SMILESCOc1ccc(C(=O)c2ccccc2C(C)=O)cc1OC
InChIInChI=1S/C17H16O4/c1-11(18)13-6-4-5-7-14(13)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-10H,1-3H3
InChIKeyBTHVKACONJWVAA-UHFFFAOYSA-N
XLogP3.14
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-3,4-dimethoxybenzamide
CID 17394178
(3,4-dimethoxyphenyl)-(2-methoxy-3-pyridinyl)methanone
CID 115605036
(3-hydroxy-4-methoxyphenyl)-(2-hydroxyphenyl)methanone
CID 59116114
(2-amino-4-methoxy-5-propan-2-yloxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 10569527
3-(3,4-dimethoxybenzoyl)-2-methoxybenzaldehyde
CID 140507897
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(2-chlorophenyl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 21459016
(5-chloro-2-fluorophenyl)-(3,4-dimethoxyphenyl)methanone
CID 43338818
(2,5-dibromophenyl)-(3,4-dimethoxyphenyl)methanone
CID 114368506
(3,4-dimethoxyphenyl)-(2,3,4-trifluorophenyl)methanone
CID 62963923
(2-bromo-3,4-dimethoxyphenyl)-(3,4-dimethoxyphenyl)methanone
CID 129012233
(3,4-dimethoxyphenyl)-(2,5-dimethylfuran-3-yl)methanone
CID 43463044

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone?
The IUPAC name of 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone (CID 102341182) is 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone is COc1ccc(C(=O)c2ccccc2C(C)=O)cc1OC.
What is the InChIKey of 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone?
The InChIKey is BTHVKACONJWVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c1-11(18)13-6-4-5-7-14(13)17(19)12-8-9-15(20-2)16(10-12)21-3/h4-10H,1-3H3.
What are the key properties of 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone?
1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone has a molecular weight of 284.31 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dimethoxybenzoyl)phenyl]ethanone is sourced from PubChem (CID 102341182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).