5-hydroxy-2-propylbenzoic acid

C10H12O3 — CID 23105136

IUPAC5-hydroxy-2-propylbenzoic acid
SMILESCCCc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12O3/c1-2-3-7-4-5-8(11)6-9(7)10(12)13/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyALYXNTYHGDRFOO-UHFFFAOYSA-N
MW180.20 g/mol
LogP2.04
Rot. Bonds3

About 5-hydroxy-2-propylbenzoic acid

5-hydroxy-2-propylbenzoic acid (PubChem CID 23105136) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 5-hydroxy-2-propylbenzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-propylbenzoic acid
PubChem CID23105136
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name5-hydroxy-2-propylbenzoic acid
SMILESCCCc1ccc(O)cc1C(=O)O
InChIInChI=1S/C10H12O3/c1-2-3-7-4-5-8(11)6-9(7)10(12)13/h4-6,11H,2-3H2,1H3,(H,12,13)
InChIKeyALYXNTYHGDRFOO-UHFFFAOYSA-N
XLogP2.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,5-dipropylbenzoic acid
CID 139904729
4-hydroxy-2-methylbenzoic acid;4-hydroxy-2-propylbenzoic acid
CID 70586681
calcium;2-hexyl-5-hydroxybenzoic acid;2-hexyl-5-oxidobenzoate
CID 101311063
4-hydroxy-2-pentylbenzoic acid
CID 23618603
5-hydroxy-2-(2,2,2-trifluoroethyl)benzoic acid
CID 91883399
4-hydroxy-2-pentadecylbenzoic acid
CID 69021357
4-hydroxy-2-octadecylbenzoic acid
CID 23112599
hexa-2,4-dienoic acid;4-hydroxy-2-propylbenzoic acid
CID 173480280
2-amino-3-hydroxy-4-propylbenzoic acid
CID 12532264
4,6-dibutylbenzene-1,3-dicarboxylic acid
CID 139637590
sodium;4-hydroxy-2-propylbenzoate;trihydrate
CID 67564094
2,5-dihydroxybenzoic acid;methanol
CID 174970806

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-propylbenzoic acid?
The IUPAC name of 5-hydroxy-2-propylbenzoic acid (CID 23105136) is 5-hydroxy-2-propylbenzoic acid.
What is the SMILES notation for 5-hydroxy-2-propylbenzoic acid?
The canonical SMILES for 5-hydroxy-2-propylbenzoic acid is CCCc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-propylbenzoic acid?
The InChIKey is ALYXNTYHGDRFOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-2-3-7-4-5-8(11)6-9(7)10(12)13/h4-6,11H,2-3H2,1H3,(H,12,13).
What are the key properties of 5-hydroxy-2-propylbenzoic acid?
5-hydroxy-2-propylbenzoic acid has a molecular weight of 180.20 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-propylbenzoic acid is sourced from PubChem (CID 23105136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).