2-hydroxy-4-(4-methylphenyl)benzoic acid

C14H12O3 — CID 53224890

IUPAC2-hydroxy-4-(4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyNKDNZJYBOBLFRZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.07
Rot. Bonds2

About 2-hydroxy-4-(4-methylphenyl)benzoic acid

2-hydroxy-4-(4-methylphenyl)benzoic acid (PubChem CID 53224890) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-hydroxy-4-(4-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(4-methylphenyl)benzoic acid
PubChem CID53224890
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name2-hydroxy-4-(4-methylphenyl)benzoic acid
SMILESCc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1
InChIInChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8,15H,1H3,(H,16,17)
InChIKeyNKDNZJYBOBLFRZ-UHFFFAOYSA-N
XLogP3.07
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
4-(4-ethylsulfanylphenyl)-2-hydroxybenzoic acid
CID 53227307
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
CID 53225879
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
4-(4-methylphenyl)-2-(trifluoromethyl)benzoic acid
CID 107333213
2-chloro-5-(4-methylphenyl)benzoic acid;ethane
CID 143170543
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
2-(2-hydroxy-4-phenylbenzoyl)benzoic acid
CID 18006881
2-hydroxy-4-[2-(4-methylphenoxy)ethoxy]benzoic acid
CID 14177358
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-(4-chloro-3-methoxycarbonylphenyl)-2-hydroxybenzoic acid
CID 53228500

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(4-methylphenyl)benzoic acid?
The IUPAC name of 2-hydroxy-4-(4-methylphenyl)benzoic acid (CID 53224890) is 2-hydroxy-4-(4-methylphenyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(4-methylphenyl)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(4-methylphenyl)benzoic acid is Cc1ccc(-c2ccc(C(=O)O)c(O)c2)cc1.
What is the InChIKey of 2-hydroxy-4-(4-methylphenyl)benzoic acid?
The InChIKey is NKDNZJYBOBLFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c1-9-2-4-10(5-3-9)11-6-7-12(14(16)17)13(15)8-11/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-4-(4-methylphenyl)benzoic acid?
2-hydroxy-4-(4-methylphenyl)benzoic acid has a molecular weight of 228.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-4-(4-methylphenyl)benzoic acid is sourced from PubChem (CID 53224890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).