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

C15H14O4 — CID 22349454

IUPAC4-(4-methoxyphenoxy)-2-methylbenzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)c(C)c2)cc1
InChIInChI=1S/C15H14O4/c1-10-9-13(7-8-14(10)15(16)17)19-12-5-3-11(18-2)4-6-12/h3-9H,1-2H3,(H,16,17)
InChIKeyWSGHSXJDNSRWFI-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.49
Rot. Bonds4

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

4-(4-methoxyphenoxy)-2-methylbenzoic acid (PubChem CID 22349454) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(4-methoxyphenoxy)-2-methylbenzoic acid.

Molecular Properties

Compound Name4-(4-methoxyphenoxy)-2-methylbenzoic acid
PubChem CID22349454
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(4-methoxyphenoxy)-2-methylbenzoic acid
SMILESCOc1ccc(Oc2ccc(C(=O)O)c(C)c2)cc1
InChIInChI=1S/C15H14O4/c1-10-9-13(7-8-14(10)15(16)17)19-12-5-3-11(18-2)4-6-12/h3-9H,1-2H3,(H,16,17)
InChIKeyWSGHSXJDNSRWFI-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

2-methyl-4-(4-methylsulfanylphenoxy)benzoic acid
CID 63649360
4-(2,6-dimethoxyphenoxy)-2-methylbenzoic acid
CID 62136478
2-(4-methoxyphenoxy)-4-methylbenzoic acid
CID 55107428
2-methyl-4-(2-methylphenoxy)benzoic acid
CID 62135465
N'-hydroxy-4-(4-methoxyphenoxy)-2-methylbenzenecarboximidamide
CID 81277967
2-(4-methoxybenzoyl)-4-methylbenzoic acid
CID 69212990
4-bromo-2-methylbenzoic acid;4-(4-methoxyphenyl)-2-methylbenzoic acid
CID 160999452
4-(4-cyano-2-methoxyphenoxy)-2-methylbenzoic acid
CID 62134443
5-(4-carboxyphenoxy)-2-methoxybenzoic acid
CID 162997010
2-chloro-4-(3,5-dimethoxyphenoxy)benzoic acid
CID 62946260
2-methoxy-1-(2-methyl-4-phenoxyphenyl)ethanone
CID 82051086
2-methyl-4-(6-methylpyridazin-3-yl)oxybenzoic acid
CID 107672708

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenoxy)-2-methylbenzoic acid?
The IUPAC name of 4-(4-methoxyphenoxy)-2-methylbenzoic acid (CID 22349454) is 4-(4-methoxyphenoxy)-2-methylbenzoic acid.
What is the SMILES notation for 4-(4-methoxyphenoxy)-2-methylbenzoic acid?
The canonical SMILES for 4-(4-methoxyphenoxy)-2-methylbenzoic acid is COc1ccc(Oc2ccc(C(=O)O)c(C)c2)cc1.
What is the InChIKey of 4-(4-methoxyphenoxy)-2-methylbenzoic acid?
The InChIKey is WSGHSXJDNSRWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10-9-13(7-8-14(10)15(16)17)19-12-5-3-11(18-2)4-6-12/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-(4-methoxyphenoxy)-2-methylbenzoic acid?
4-(4-methoxyphenoxy)-2-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 4-(4-methoxyphenoxy)-2-methylbenzoic acid is sourced from PubChem (CID 22349454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).