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

C14H12O4 — CID 164975487

IUPAC2-hydroxy-4-(2-methylphenoxy)benzoic acid
SMILESCc1ccccc1Oc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H12O4/c1-9-4-2-3-5-13(9)18-10-6-7-11(14(16)17)12(15)8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyIZWNMUJOKIIQLS-UHFFFAOYSA-N
MW244.25 g/mol
LogP3.19
Rot. Bonds3

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

2-hydroxy-4-(2-methylphenoxy)benzoic acid (PubChem CID 164975487) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-hydroxy-4-(2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-4-(2-methylphenoxy)benzoic acid
PubChem CID164975487
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-hydroxy-4-(2-methylphenoxy)benzoic acid
SMILESCc1ccccc1Oc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C14H12O4/c1-9-4-2-3-5-13(9)18-10-6-7-11(14(16)17)12(15)8-10/h2-8,15H,1H3,(H,16,17)
InChIKeyIZWNMUJOKIIQLS-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-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
1-[2-hydroxy-4-(4-phenoxyphenoxy)phenyl]ethanone
CID 166874046
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
[2-(4-hydroxy-3-methylphenoxy)phenyl]-phenylmethanone
CID 67943677
2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
CID 91067805
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440
1-methyl-2-(3-phenoxyphenoxy)benzene
CID 91183986
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
2-chloro-4-(2-chlorophenoxy)benzoic acid
CID 62946411
2-hydroxy-4-[2-(4-hydroxy-2-methylphenoxy)ethoxy]benzoic acid
CID 67375658
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-4-(2-methylphenoxy)benzoic acid?
The IUPAC name of 2-hydroxy-4-(2-methylphenoxy)benzoic acid (CID 164975487) is 2-hydroxy-4-(2-methylphenoxy)benzoic acid.
What is the SMILES notation for 2-hydroxy-4-(2-methylphenoxy)benzoic acid?
The canonical SMILES for 2-hydroxy-4-(2-methylphenoxy)benzoic acid is Cc1ccccc1Oc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 2-hydroxy-4-(2-methylphenoxy)benzoic acid?
The InChIKey is IZWNMUJOKIIQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O4/c1-9-4-2-3-5-13(9)18-10-6-7-11(14(16)17)12(15)8-10/h2-8,15H,1H3,(H,16,17).
What are the key properties of 2-hydroxy-4-(2-methylphenoxy)benzoic acid?
2-hydroxy-4-(2-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-hydroxy-4-(2-methylphenoxy)benzoic acid is sourced from PubChem (CID 164975487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).