4-(2-methoxyphenoxy)-3-methylbenzoic acid

C15H14O4 — CID 62120451

IUPAC4-(2-methoxyphenoxy)-3-methylbenzoic acid
SMILESCOc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H14O4/c1-10-9-11(15(16)17)7-8-12(10)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyXKDTXRDGSAVTPF-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.49
Rot. Bonds4

About 4-(2-methoxyphenoxy)-3-methylbenzoic acid

4-(2-methoxyphenoxy)-3-methylbenzoic acid (PubChem CID 62120451) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-(2-methoxyphenoxy)-3-methylbenzoic acid.

Molecular Properties

Compound Name4-(2-methoxyphenoxy)-3-methylbenzoic acid
PubChem CID62120451
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-(2-methoxyphenoxy)-3-methylbenzoic acid
SMILESCOc1ccccc1Oc1ccc(C(=O)O)cc1C
InChIInChI=1S/C15H14O4/c1-10-9-11(15(16)17)7-8-12(10)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17)
InChIKeyXKDTXRDGSAVTPF-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-(2-ethoxyphenoxy)-3-methylbenzoic acid
CID 62121144
4-(2-acetamidophenoxy)-3-methylbenzoic acid
CID 62120796
4-(2-aminophenoxy)-3-methoxybenzoic acid
CID 69280746
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-cinnolin-4-yloxy-3-methylbenzoic acid
CID 107672871
2-hydroxy-1-(4-methoxy-3-methylphenyl)-2-phenylethanone
CID 129094735
4-(3-chloro-2-cyanophenoxy)-3-methylbenzoic acid
CID 107672821
3-methyl-4-phthalazin-1-yloxybenzoic acid
CID 107672852
3-methyl-4-(1-methyltetrazol-5-yl)oxybenzoic acid
CID 107672794
5-fluoro-2-(2-methoxyphenoxy)benzoic acid
CID 43313324
4-(3-methoxypropoxy)-3-methylbenzoic acid
CID 62703570
3-methyl-4-phenylmethoxybenzoic acid
CID 53471145

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenoxy)-3-methylbenzoic acid?
The IUPAC name of 4-(2-methoxyphenoxy)-3-methylbenzoic acid (CID 62120451) is 4-(2-methoxyphenoxy)-3-methylbenzoic acid.
What is the SMILES notation for 4-(2-methoxyphenoxy)-3-methylbenzoic acid?
The canonical SMILES for 4-(2-methoxyphenoxy)-3-methylbenzoic acid is COc1ccccc1Oc1ccc(C(=O)O)cc1C.
What is the InChIKey of 4-(2-methoxyphenoxy)-3-methylbenzoic acid?
The InChIKey is XKDTXRDGSAVTPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-10-9-11(15(16)17)7-8-12(10)19-14-6-4-3-5-13(14)18-2/h3-9H,1-2H3,(H,16,17).
What are the key properties of 4-(2-methoxyphenoxy)-3-methylbenzoic acid?
4-(2-methoxyphenoxy)-3-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-(2-methoxyphenoxy)-3-methylbenzoic acid is sourced from PubChem (CID 62120451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).