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

C16H14O4 — CID 150574135

IUPAC3-(4-ethylbenzoyl)-2-hydroxybenzoic acid
SMILESCCc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H14O4/c1-2-10-6-8-11(9-7-10)14(17)12-4-3-5-13(15(12)18)16(19)20/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyIMLIPFPQXBLNKV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.88
Rot. Bonds4

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

3-(4-ethylbenzoyl)-2-hydroxybenzoic acid (PubChem CID 150574135) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(4-ethylbenzoyl)-2-hydroxybenzoic acid
PubChem CID150574135
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name3-(4-ethylbenzoyl)-2-hydroxybenzoic acid
SMILESCCc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1
InChIInChI=1S/C16H14O4/c1-2-10-6-8-11(9-7-10)14(17)12-4-3-5-13(15(12)18)16(19)20/h3-9,18H,2H2,1H3,(H,19,20)
InChIKeyIMLIPFPQXBLNKV-UHFFFAOYSA-N
XLogP2.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-ethoxybenzoyl)-2-hydroxybenzoic acid
CID 150759629
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
4-ethylphenol;4-hydroxybenzoic acid
CID 158740772
4-ethylbenzoic acid;formaldehyde
CID 155718391
(5-ethyl-2-hydroxyphenyl)-phenylmethanone
CID 13149653
(4-ethylphenyl)-quinolin-5-ylmethanone
CID 78917797
2,3-dihydro-1-benzofuran-7-yl-(4-ethylphenyl)methanone
CID 114743978
(2,6-dimethoxyphenyl)-(4-ethylphenyl)methanone
CID 43338330
(6-ethylnaphthalen-1-yl)-phenylmethanone
CID 67944513
ethylbenzene;4-hydroxybenzoic acid
CID 67658801
(3-aminonaphthalen-2-yl)-(4-ethylphenyl)methanone
CID 116560466

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid (CID 150574135) is 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid is CCc1ccc(C(=O)c2cccc(C(=O)O)c2O)cc1.
What is the InChIKey of 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid?
The InChIKey is IMLIPFPQXBLNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c1-2-10-6-8-11(9-7-10)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-ethylbenzoyl)-2-hydroxybenzoic acid?
3-(4-ethylbenzoyl)-2-hydroxybenzoic acid has a molecular weight of 270.28 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylbenzoyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 150574135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).