(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone

C22H18O4 — CID 175021550

IUPAC(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H18O4/c1-25-18-14-13-17(20(23)15-9-5-3-6-10-15)19(22(18)26-2)21(24)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyOGBJNOCNOXHKDI-UHFFFAOYSA-N
MW346.38 g/mol
LogP4.17
Rot. Bonds6

About (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone

(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone (PubChem CID 175021550) has the molecular formula C22H18O4 and a molecular weight of 346.38 g/mol. Its IUPAC name is (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
PubChem CID175021550
Molecular FormulaC22H18O4
Molecular Weight346.38 g/mol
Exact Mass346.12
IUPAC Name(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone
SMILESCOc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1OC
InChIInChI=1S/C22H18O4/c1-25-18-14-13-17(20(23)15-9-5-3-6-10-15)19(22(18)26-2)21(24)16-11-7-4-8-12-16/h3-14H,1-2H3
InChIKeyOGBJNOCNOXHKDI-UHFFFAOYSA-N
XLogP4.17
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(hydroxymethyl)-3,4-dimethoxyphenyl]-phenylmethanone
CID 58297973
[3,4-dimethoxy-2-[methoxy-(2-methoxyphenyl)methyl]phenyl]-phenylmethanone
CID 175008315
(4-benzoylphenyl) 2,3,4-trimethoxybenzoate
CID 9095487
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
(2-hydroxy-3-methoxy-4-methylphenyl)-phenylmethanone
CID 67125104
methyl 2-(2,3,6-trimethoxybenzoyl)benzoate
CID 10640148
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
(2-hydroxy-3,5-dimethoxy-4-methylphenyl)-phenylmethanone
CID 174443655
(6-acetyl-2,3-dimethoxyphenyl) benzoate
CID 118066026
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone?
The IUPAC name of (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone (CID 175021550) is (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone.
What is the SMILES notation for (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone?
The canonical SMILES for (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone is COc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1OC.
What is the InChIKey of (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone?
The InChIKey is OGBJNOCNOXHKDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O4/c1-25-18-14-13-17(20(23)15-9-5-3-6-10-15)19(22(18)26-2)21(24)16-11-7-4-8-12-16/h3-14H,1-2H3.
What are the key properties of (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone?
(2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone has a molecular weight of 346.38 g/mol, XLogP of 4.17, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-3,4-dimethoxyphenyl)-phenylmethanone is sourced from PubChem (CID 175021550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).