2,3-diethyl-4-hydroxybenzoic acid

C11H14O3 — CID 66720477

IUPAC2,3-diethyl-4-hydroxybenzoic acid
SMILESCCc1c(O)ccc(C(=O)O)c1CC
InChIInChI=1S/C11H14O3/c1-3-7-8(4-2)10(12)6-5-9(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyDLGGSBFNOSMLEL-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.22
Rot. Bonds3

About 2,3-diethyl-4-hydroxybenzoic acid

2,3-diethyl-4-hydroxybenzoic acid (PubChem CID 66720477) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2,3-diethyl-4-hydroxybenzoic acid.

Molecular Properties

Compound Name2,3-diethyl-4-hydroxybenzoic acid
PubChem CID66720477
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2,3-diethyl-4-hydroxybenzoic acid
SMILESCCc1c(O)ccc(C(=O)O)c1CC
InChIInChI=1S/C11H14O3/c1-3-7-8(4-2)10(12)6-5-9(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14)
InChIKeyDLGGSBFNOSMLEL-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-2-ethyl-3-hydroxybenzoic acid
CID 174469710
2,3-diheptyl-4-hydroxybenzoic acid
CID 69402262
2-ethyl-3,4-dimethylbenzoic acid
CID 58433951
4,6-diethyl-5-(hydroxymethyl)benzene-1,3-dicarboxylic acid
CID 172833570
2-ethyl-4-methylbenzene-1,3-dicarboxylic acid
CID 150018271
diethyl benzene-1,4-dicarboxylate;2,3-diethylterephthalic acid
CID 160968833
3-(2,3-dihydroxyphenyl)-2-ethylbenzoic acid
CID 90117992
1-ethylnaphthalene-2-carboxylic acid
CID 22762218
4-bromo-2-ethyl-3-methylbenzoic acid
CID 23134201
3-amino-2-ethyl-4-iodobenzoic acid
CID 69226791
3-ethyl-2,4-dimethylbenzoic acid
CID 70082464
3-fluoro-4-hydroxy-2-(2-methylbutyl)benzoic acid
CID 67895334

Frequently Asked Questions

What is the IUPAC name of 2,3-diethyl-4-hydroxybenzoic acid?
The IUPAC name of 2,3-diethyl-4-hydroxybenzoic acid (CID 66720477) is 2,3-diethyl-4-hydroxybenzoic acid.
What is the SMILES notation for 2,3-diethyl-4-hydroxybenzoic acid?
The canonical SMILES for 2,3-diethyl-4-hydroxybenzoic acid is CCc1c(O)ccc(C(=O)O)c1CC.
What is the InChIKey of 2,3-diethyl-4-hydroxybenzoic acid?
The InChIKey is DLGGSBFNOSMLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-3-7-8(4-2)10(12)6-5-9(7)11(13)14/h5-6,12H,3-4H2,1-2H3,(H,13,14).
What are the key properties of 2,3-diethyl-4-hydroxybenzoic acid?
2,3-diethyl-4-hydroxybenzoic acid has a molecular weight of 194.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diethyl-4-hydroxybenzoic acid is sourced from PubChem (CID 66720477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).