2-hydroxy-3-prop-1-en-2-ylbenzoic acid

C10H10O3 — CID 11423898

IUPAC2-hydroxy-3-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H10O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-5,11H,1H2,2H3,(H,12,13)
InChIKeyNGUJGKXRRSFFAG-UHFFFAOYSA-N
MW178.19 g/mol
LogP2.12
Rot. Bonds2

About 2-hydroxy-3-prop-1-en-2-ylbenzoic acid

2-hydroxy-3-prop-1-en-2-ylbenzoic acid (PubChem CID 11423898) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 2-hydroxy-3-prop-1-en-2-ylbenzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-prop-1-en-2-ylbenzoic acid
PubChem CID11423898
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name2-hydroxy-3-prop-1-en-2-ylbenzoic acid
SMILESC=C(C)c1cccc(C(=O)O)c1O
InChIInChI=1S/C10H10O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-5,11H,1H2,2H3,(H,12,13)
InChIKeyNGUJGKXRRSFFAG-UHFFFAOYSA-N
XLogP2.12
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-hydroxy-3-prop-1-en-2-ylbenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2,3-bis(prop-1-en-2-yl)phenol
CID 68747547
carbonic acid;bis(2-hydroxy-3-methylbenzoic acid)
CID 66629599
2-phenyl-6-prop-1-en-2-ylphenol
CID 154380547
1,2-bis(prop-1-en-2-yl)benzene;hydrogen peroxide
CID 175029396
2-methylbenzene-1,3-dicarboxylic acid;bis(2-methylprop-2-enoic acid)
CID 174662181
2,3,6-tris(prop-1-en-2-yl)phenol
CID 101292776
3-bromo-2-hydroxybenzoic acid
CID 520927
CID 70118129
CID 70118129
3-[(3-acetyl-2-hydroxyphenyl)methyl]-2-hydroxybenzoic acid
CID 67076238
2-hydroxy-3-(2-hydroxypropan-2-yl)benzoic acid
CID 56991164

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-prop-1-en-2-ylbenzoic acid?
The IUPAC name of 2-hydroxy-3-prop-1-en-2-ylbenzoic acid (CID 11423898) is 2-hydroxy-3-prop-1-en-2-ylbenzoic acid.
What is the SMILES notation for 2-hydroxy-3-prop-1-en-2-ylbenzoic acid?
The canonical SMILES for 2-hydroxy-3-prop-1-en-2-ylbenzoic acid is C=C(C)c1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-prop-1-en-2-ylbenzoic acid?
The InChIKey is NGUJGKXRRSFFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c1-6(2)7-4-3-5-8(9(7)11)10(12)13/h3-5,11H,1H2,2H3,(H,12,13).
What are the key properties of 2-hydroxy-3-prop-1-en-2-ylbenzoic acid?
2-hydroxy-3-prop-1-en-2-ylbenzoic acid has a molecular weight of 178.19 g/mol, XLogP of 2.12, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-prop-1-en-2-ylbenzoic acid is sourced from PubChem (CID 11423898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).