2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid

C17H16O5 — CID 10756617

IUPAC2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
SMILESCOc1cc(OC)cc(C(=O)Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-21-13-7-12(8-14(10-13)22-2)16(18)9-11-5-3-4-6-15(11)17(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyOBJYWLQGUCLPSN-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid

2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid (PubChem CID 10756617) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
PubChem CID10756617
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid
SMILESCOc1cc(OC)cc(C(=O)Cc2ccccc2C(=O)O)c1
InChIInChI=1S/C17H16O5/c1-21-13-7-12(8-14(10-13)22-2)16(18)9-11-5-3-4-6-15(11)17(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)
InChIKeyOBJYWLQGUCLPSN-UHFFFAOYSA-N
XLogP2.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)-3-phenylpropane-1,3-dione
CID 91159329
2-(2-bromo-3-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanone
CID 115790040
1-(3,5-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
CID 641829
2-anilino-1-(3,5-dimethoxyphenyl)ethanone
CID 116555372
2-[2-(3-cyanophenyl)-2-oxoethyl]-5-methoxybenzoic acid
CID 150164902
2-[2-(2-hydroxyphenyl)-2-oxoethyl]benzoic acid
CID 10729737
2-[2-(4-methoxybenzoyl)phenyl]acetic acid
CID 15621221
1-(3,5-dimethoxyphenyl)-3-[2-(trifluoromethyl)phenyl]propan-1-one
CID 71137112
2-[(3-methoxyphenyl)sulfanylmethyl]benzoic acid
CID 13154004
2-[2-(aminomethyl)phenyl]-1-(3-methoxyphenyl)ethanone
CID 116595979
2-[[2-(3,5-dimethoxyphenyl)imidazol-1-yl]methyl]benzoic acid
CID 82560728
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid?
The IUPAC name of 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid (CID 10756617) is 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid.
What is the SMILES notation for 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid?
The canonical SMILES for 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid is COc1cc(OC)cc(C(=O)Cc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid?
The InChIKey is OBJYWLQGUCLPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-21-13-7-12(8-14(10-13)22-2)16(18)9-11-5-3-4-6-15(11)17(19)20/h3-8,10H,9H2,1-2H3,(H,19,20).
What are the key properties of 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid?
2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid has a molecular weight of 300.31 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethoxyphenyl)-2-oxoethyl]benzoic acid is sourced from PubChem (CID 10756617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).