2-(2-hydroxy-5-methylphenoxy)benzoic acid

C14H12O4 — CID 14221471

IUPAC2-(2-hydroxy-5-methylphenoxy)benzoic acid
SMILESCc1ccc(O)c(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H12O4/c1-9-6-7-11(15)13(8-9)18-12-5-3-2-4-10(12)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyFZMSISBFBAJBTP-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.19
Rot. Bonds3

About 2-(2-hydroxy-5-methylphenoxy)benzoic acid

2-(2-hydroxy-5-methylphenoxy)benzoic acid (PubChem CID 14221471) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-(2-hydroxy-5-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-hydroxy-5-methylphenoxy)benzoic acid
PubChem CID14221471
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-(2-hydroxy-5-methylphenoxy)benzoic acid
SMILESCc1ccc(O)c(Oc2ccccc2C(=O)O)c1
InChIInChI=1S/C14H12O4/c1-9-6-7-11(15)13(8-9)18-12-5-3-2-4-10(12)14(16)17/h2-8,15H,1H3,(H,16,17)
InChIKeyFZMSISBFBAJBTP-UHFFFAOYSA-N
XLogP3.19
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(carboxymethyl)-5-methylphenoxy]benzoic acid
CID 19102969
2-(4-methyl-2-nitrophenoxy)benzoic acid
CID 61311075
2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
1-[2-(2,4-dimethylphenoxy)phenyl]ethanone
CID 14797515
2-(2,4-dimethylphenoxy)phenol
CID 91665530
2-[2-(2,5-dimethylphenoxy)ethoxy]benzoic acid
CID 22682108
2-(2-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 175986634
2-(2-methoxycarbonylphenoxy)benzoic acid
CID 166513979
5-methyl-2-(2-methylsulfonylphenoxy)benzoic acid
CID 61396262
5-methyl-2-(2-propoxyphenoxy)benzoic acid
CID 62514617
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
2-(2-bromo-4-methylphenoxy)-4-methylbenzoic acid
CID 63513152

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-5-methylphenoxy)benzoic acid?
The IUPAC name of 2-(2-hydroxy-5-methylphenoxy)benzoic acid (CID 14221471) is 2-(2-hydroxy-5-methylphenoxy)benzoic acid.
What is the SMILES notation for 2-(2-hydroxy-5-methylphenoxy)benzoic acid?
The canonical SMILES for 2-(2-hydroxy-5-methylphenoxy)benzoic acid is Cc1ccc(O)c(Oc2ccccc2C(=O)O)c1.
What is the InChIKey of 2-(2-hydroxy-5-methylphenoxy)benzoic acid?
The InChIKey is FZMSISBFBAJBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9-6-7-11(15)13(8-9)18-12-5-3-2-4-10(12)14(16)17/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-(2-hydroxy-5-methylphenoxy)benzoic acid?
2-(2-hydroxy-5-methylphenoxy)benzoic acid has a molecular weight of 244.25 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-5-methylphenoxy)benzoic acid is sourced from PubChem (CID 14221471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).