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

C15H14O3 — CID 62135465

IUPAC2-methyl-4-(2-methylphenoxy)benzoic acid
SMILESCc1ccccc1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H14O3/c1-10-5-3-4-6-14(10)18-12-7-8-13(15(16)17)11(2)9-12/h3-9H,1-2H3,(H,16,17)
InChIKeySNFHHQGMAKLTML-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.79
Rot. Bonds3

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

2-methyl-4-(2-methylphenoxy)benzoic acid (PubChem CID 62135465) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 2-methyl-4-(2-methylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-methyl-4-(2-methylphenoxy)benzoic acid
PubChem CID62135465
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name2-methyl-4-(2-methylphenoxy)benzoic acid
SMILESCc1ccccc1Oc1ccc(C(=O)O)c(C)c1
InChIInChI=1S/C15H14O3/c1-10-5-3-4-6-14(10)18-12-7-8-13(15(16)17)11(2)9-12/h3-9H,1-2H3,(H,16,17)
InChIKeySNFHHQGMAKLTML-UHFFFAOYSA-N
XLogP3.79
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(2-methylphenoxy)benzoic acid
CID 164975487
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
2-ethoxyimino-2-[2-methyl-4-(2-methylphenoxy)phenyl]acetic acid
CID 91067805
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-(3-methyl-4-propan-2-ylphenoxy)benzoic acid
CID 29047649
4-(2-cyano-3-methylsulfanylphenoxy)-2-methylbenzoic acid
CID 107672549
4-(2-bromo-4-chlorophenoxy)-2-methylbenzoic acid
CID 63534811
4-(4-bromo-2-fluorophenoxy)-2-methylbenzoic acid
CID 62136646
4-(2-methylphenoxy)benzoate
CID 7010211
2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
5-(2-methylphenoxy)pyridine-2-carboxylic acid
CID 83643883
2-bromo-4-(2-methoxyphenoxy)benzoic acid
CID 107282440

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2-methylphenoxy)benzoic acid?
The IUPAC name of 2-methyl-4-(2-methylphenoxy)benzoic acid (CID 62135465) is 2-methyl-4-(2-methylphenoxy)benzoic acid.
What is the SMILES notation for 2-methyl-4-(2-methylphenoxy)benzoic acid?
The canonical SMILES for 2-methyl-4-(2-methylphenoxy)benzoic acid is Cc1ccccc1Oc1ccc(C(=O)O)c(C)c1.
What is the InChIKey of 2-methyl-4-(2-methylphenoxy)benzoic acid?
The InChIKey is SNFHHQGMAKLTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10-5-3-4-6-14(10)18-12-7-8-13(15(16)17)11(2)9-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-methyl-4-(2-methylphenoxy)benzoic acid?
2-methyl-4-(2-methylphenoxy)benzoic acid has a molecular weight of 242.27 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2-methylphenoxy)benzoic acid is sourced from PubChem (CID 62135465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).