2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid

C22H18O5 — CID 174999408

IUPAC2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid
SMILESCCOc1cccc(-c2ccc(C(=O)O)c(C(=O)c3ccccc3)c2O)c1
InChIInChI=1S/C22H18O5/c1-2-27-16-10-6-9-15(13-16)17-11-12-18(22(25)26)19(21(17)24)20(23)14-7-4-3-5-8-14/h3-13,24H,2H2,1H3,(H,25,26)
InChIKeyVVKKFXDHHXXGAC-UHFFFAOYSA-N
MW362.38 g/mol
LogP4.39
Rot. Bonds6

About 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid

2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid (PubChem CID 174999408) has the molecular formula C22H18O5 and a molecular weight of 362.38 g/mol. Its IUPAC name is 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid
PubChem CID174999408
Molecular FormulaC22H18O5
Molecular Weight362.38 g/mol
Exact Mass362.12
IUPAC Name2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid
SMILESCCOc1cccc(-c2ccc(C(=O)O)c(C(=O)c3ccccc3)c2O)c1
InChIInChI=1S/C22H18O5/c1-2-27-16-10-6-9-15(13-16)17-11-12-18(22(25)26)19(21(17)24)20(23)14-7-4-3-5-8-14/h3-13,24H,2H2,1H3,(H,25,26)
InChIKeyVVKKFXDHHXXGAC-UHFFFAOYSA-N
XLogP4.39
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethoxyphenyl)-2-methylbenzoic acid
CID 53226301
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427
4-(3-ethoxyphenyl)-2-nitrobenzoic acid
CID 53226326
1-[2-(3-ethoxyphenyl)phenyl]-2,5-dimethylpyrrole-3-carboxylic acid
CID 69124488
2-(3-ethoxyphenyl)-6-methoxyphenol
CID 83130790
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
bromobenzene;3-ethoxybenzoic acid
CID 174626248
(1-cyclohexyl-2-oxo-2-phenylethyl) 2-(3-ethoxyphenyl)benzoate;methane
CID 158464094
1-[3-(3-ethoxyphenyl)-4-methylphenyl]ethanone
CID 148749091
(6-ethoxy-1-oxo-2-phenyl-1-benzothiophen-3-yl)-(4-ethoxyphenyl)methanone
CID 22753385
3-(3-ethoxyphenyl)-6-oxo-1H-pyridazine-5-carboxylic acid
CID 82445938

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid?
The IUPAC name of 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid (CID 174999408) is 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid is CCOc1cccc(-c2ccc(C(=O)O)c(C(=O)c3ccccc3)c2O)c1.
What is the InChIKey of 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid?
The InChIKey is VVKKFXDHHXXGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O5/c1-2-27-16-10-6-9-15(13-16)17-11-12-18(22(25)26)19(21(17)24)20(23)14-7-4-3-5-8-14/h3-13,24H,2H2,1H3,(H,25,26).
What are the key properties of 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid?
2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid has a molecular weight of 362.38 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-4-(3-ethoxyphenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 174999408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).