1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid

C14H14O3 — CID 20521545

IUPAC1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C14H14O3/c1-8(2)11-7-12(14(16)17)13(15)10-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyWZOGUOCFFHLHIT-UHFFFAOYSA-N
MW230.26 g/mol
LogP3.37
Rot. Bonds2

About 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid

1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid (PubChem CID 20521545) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
PubChem CID20521545
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)c(O)c2ccccc12
InChIInChI=1S/C14H14O3/c1-8(2)11-7-12(14(16)17)13(15)10-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,16,17)
InChIKeyWZOGUOCFFHLHIT-UHFFFAOYSA-N
XLogP3.37
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic 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

4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
1,8-diphenyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 158713023
1-hydroxy-4-(2-methoxyethoxy)naphthalene-2-carboxylic acid
CID 23464074
4-[[3-(dihydroxymethyl)-4-hydroxynaphthalen-1-yl]methyl]-1-hydroxynaphthalene-2-carboxylic acid
CID 18684440
1,8-dihydroxy-7-methoxy-6-methyl-4-propan-2-ylnaphthalene-2-carboxylic acid
CID 78319267
2-hydroxy-3,5-di(propan-2-yl)benzoic acid;zinc
CID 70405598
1-hydroxy-4-(2-methoxyphenyl)naphthalene-2-carboxylic acid
CID 174552806
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
4-(4-bromophenyl)-1-hydroxynaphthalene-2-carboxylic acid
CID 174875229
chromium;bis(2-hydroxy-3,5-di(propan-2-yl)benzoic acid);hydrate
CID 11979740
1,2-bis(2-propan-2-ylphenyl)ethane-1,2-dione
CID 67945637
1-hydroxy-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxylic acid
CID 136679288

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid (CID 20521545) is 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid is CC(C)c1cc(C(=O)O)c(O)c2ccccc12.
What is the InChIKey of 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid?
The InChIKey is WZOGUOCFFHLHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-8(2)11-7-12(14(16)17)13(15)10-6-4-3-5-9(10)11/h3-8,15H,1-2H3,(H,16,17).
What are the key properties of 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid?
1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid has a molecular weight of 230.26 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-4-propan-2-ylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 20521545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).