2-(4-methoxyphenoxy)-4-methylbenzoic acid

C15H14O4 — CID 55107428

IUPAC2-(4-methoxyphenoxy)-4-methylbenzoic acid
SMILESCOc1ccc(Oc2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-10-3-8-13(15(16)17)14(9-10)19-12-6-4-11(18-2)5-7-12/h3-9H,1-2H3,(H,16,17)
InChIKeyGLHLBHWNPKZQBV-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.49
Rot. Bonds4

About 2-(4-methoxyphenoxy)-4-methylbenzoic acid

2-(4-methoxyphenoxy)-4-methylbenzoic acid (PubChem CID 55107428) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2-(4-methoxyphenoxy)-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(4-methoxyphenoxy)-4-methylbenzoic acid
PubChem CID55107428
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name2-(4-methoxyphenoxy)-4-methylbenzoic acid
SMILESCOc1ccc(Oc2cc(C)ccc2C(=O)O)cc1
InChIInChI=1S/C15H14O4/c1-10-3-8-13(15(16)17)14(9-10)19-12-6-4-11(18-2)5-7-12/h3-9H,1-2H3,(H,16,17)
InChIKeyGLHLBHWNPKZQBV-UHFFFAOYSA-N
XLogP3.49
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-(4-sulfamoylphenoxy)benzoic acid
CID 61395743
2-[4-(2-hydroxyethyl)phenoxy]-4-methylbenzoic acid
CID 107708690
2-(2-cyano-5-methoxyphenoxy)-4-methylbenzoic acid
CID 81301510
4-methoxy-2-pyridin-4-yloxybenzoic acid
CID 58236553
2-(3-chlorophenoxy)-4-methylbenzoic acid
CID 55107381
4-methoxy-2-(4-methylsulfanylphenoxy)benzoic acid
CID 81308953
4-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)benzoic acid
CID 63513502
4-(4-methoxyphenoxy)-2-methylbenzoic acid
CID 22349454
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
4-methyl-2-quinolin-7-yloxybenzoic acid
CID 107313379
2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenoxy)-4-methylbenzoic acid?
The IUPAC name of 2-(4-methoxyphenoxy)-4-methylbenzoic acid (CID 55107428) is 2-(4-methoxyphenoxy)-4-methylbenzoic acid.
What is the SMILES notation for 2-(4-methoxyphenoxy)-4-methylbenzoic acid?
The canonical SMILES for 2-(4-methoxyphenoxy)-4-methylbenzoic acid is COc1ccc(Oc2cc(C)ccc2C(=O)O)cc1.
What is the InChIKey of 2-(4-methoxyphenoxy)-4-methylbenzoic acid?
The InChIKey is GLHLBHWNPKZQBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10-3-8-13(15(16)17)14(9-10)19-12-6-4-11(18-2)5-7-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 2-(4-methoxyphenoxy)-4-methylbenzoic acid?
2-(4-methoxyphenoxy)-4-methylbenzoic acid has a molecular weight of 258.27 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenoxy)-4-methylbenzoic acid is sourced from PubChem (CID 55107428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).