3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid

C16H14O5 — CID 150759629

IUPAC3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
SMILESCCOc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H14O5/c1-2-21-11-8-6-10(7-9-11)14(17)12-4-3-5-13(15(12)18)16(19)20/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXOOGWXKDGUFSA-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.72
Rot. Bonds5

About 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid

3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid (PubChem CID 150759629) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
PubChem CID150759629
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
SMILESCCOc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H14O5/c1-2-21-11-8-6-10(7-9-11)14(17)12-4-3-5-13(15(12)18)16(19)20/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyJXOOGWXKDGUFSA-UHFFFAOYSA-N
XLogP2.72
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethylbenzoyl)-2-hydroxybenzoic acid
CID 150574135
3-acetyl-2-hydroxybenzoic acid;2-(4-ethoxyphenyl)guanidine
CID 70542197
3-ethoxy-2-hydroxybenzoic acid
CID 13026922
(3-chloro-2-fluorophenyl)-(4-ethoxyphenyl)methanone
CID 64712585
(4-ethoxyphenyl)-(2-propoxyphenyl)methanone
CID 115800643
4-[(4-ethoxyphenyl)methyl]benzoic acid
CID 116927188
2-[(4-ethoxybenzoyl)amino]-3-iodobenzoic acid
CID 91160017
(2,4-dimethylphenyl)-(4-ethoxyphenyl)methanone
CID 43160127
2-[2-(4-ethoxyphenoxy)ethoxy]benzoic acid
CID 20992517
(3-bromophenyl)-(4-ethoxyphenyl)methanone
CID 24723180
2-(4-ethoxy-2-hydroxybenzoyl)benzoic acid
CID 156787374
carbanide;(4-ethoxy-2-hydroxyphenyl)-phenylmethanone;yttrium
CID 158307427

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid (CID 150759629) is 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid is CCOc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1.
What is the InChIKey of 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid?
The InChIKey is JXOOGWXKDGUFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-2-21-11-8-6-10(7-9-11)14(17)12-4-3-5-13(15(12)18)16(19)20/h3-9,18H,2H2,1H3,(H,19,20).
What are the key properties of 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid?
3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 150759629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).