4-methoxy-2-methyl-3-phenylmethoxybenzoic acid

C16H16O4 — CID 141015234

IUPAC4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-11-13(16(17)18)8-9-14(19-2)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyDJQWLLYZSFIVFJ-UHFFFAOYSA-N
MW272.30 g/mol
LogP3.28
Rot. Bonds5

About 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid

4-methoxy-2-methyl-3-phenylmethoxybenzoic acid (PubChem CID 141015234) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid.

Molecular Properties

Compound Name4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
PubChem CID141015234
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name4-methoxy-2-methyl-3-phenylmethoxybenzoic acid
SMILESCOc1ccc(C(=O)O)c(C)c1OCc1ccccc1
InChIInChI=1S/C16H16O4/c1-11-13(16(17)18)8-9-14(19-2)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18)
InChIKeyDJQWLLYZSFIVFJ-UHFFFAOYSA-N
XLogP3.28
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
2-bromo-1-[2-methyl-3,4-bis(phenylmethoxy)phenyl]ethanone
CID 87906872
3-hydroxy-2-methyl-4,5-bis(phenylmethoxy)benzoic acid
CID 175815077
3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
3-ethyl-2-iodo-5-methoxy-4-phenylmethoxybenzoic acid
CID 157224602
2,4-dimethoxy-6-phenylmethoxybenzoic acid
CID 70481203
3-methoxy-1-phenylmethoxynaphthalene-2-carboxylic acid
CID 54035812
3-hydroxy-2-phenylmethoxybenzoic acid
CID 67658329
2,5,8-trimethoxy-1-phenylmethoxynaphthalene
CID 132576199
(E)-1-(3,4-dimethoxy-2-phenylmethoxyphenyl)-3-(dimethylamino)prop-2-en-1-one
CID 59999680
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid?
The IUPAC name of 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid (CID 141015234) is 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid.
What is the SMILES notation for 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid?
The canonical SMILES for 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid is COc1ccc(C(=O)O)c(C)c1OCc1ccccc1.
What is the InChIKey of 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid?
The InChIKey is DJQWLLYZSFIVFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11-13(16(17)18)8-9-14(19-2)15(11)20-10-12-6-4-3-5-7-12/h3-9H,10H2,1-2H3,(H,17,18).
What are the key properties of 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid?
4-methoxy-2-methyl-3-phenylmethoxybenzoic acid has a molecular weight of 272.30 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-3-phenylmethoxybenzoic acid is sourced from PubChem (CID 141015234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).