2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid

C17H18O4 — CID 45447311

IUPAC2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
SMILESCOc1ccc(C)cc1COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-11-4-6-15(20-3)13(8-11)10-21-16-7-5-12(2)9-14(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyLQMFEUHTZAVIBY-UHFFFAOYSA-N
MW286.33 g/mol
LogP3.59
Rot. Bonds5

About 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid

2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid (PubChem CID 45447311) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
PubChem CID45447311
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid
SMILESCOc1ccc(C)cc1COc1ccc(C)cc1C(=O)O
InChIInChI=1S/C17H18O4/c1-11-4-6-15(20-3)13(8-11)10-21-16-7-5-12(2)9-14(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19)
InChIKeyLQMFEUHTZAVIBY-UHFFFAOYSA-N
XLogP3.59
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic 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

2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590
2-[(5-bromo-2-methoxyphenyl)methoxy]-4-methylbenzoic acid
CID 60711640
5-methyl-2-[(2-methylphenyl)methoxy]benzoic acid
CID 25109956
3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 4194844
(E)-3-[3-[(2-acetyl-4-methylphenoxy)methyl]-4-methoxyphenyl]prop-2-enoic acid
CID 6033497
2-[(2-ethylphenoxy)methyl]-1-methoxy-4-methylbenzene
CID 64766047
5-methyl-2-nonoxybenzoic acid
CID 63463067
1-[4-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethanone
CID 60661065
N-[1-[2-[(2-methoxy-5-methylphenyl)methoxy]phenyl]ethylidene]hydroxylamine
CID 76936776
2-(2-fluoroethoxy)-5-methylbenzoic acid
CID 51357094
4-[(2-bromo-4-methylphenoxy)methyl]-2-methoxybenzoic acid
CID 106794003
(1S)-1-[2-[(2-methoxy-5-methylphenyl)methoxy]-4-methylphenyl]ethanol
CID 78947426

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid (CID 45447311) is 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid is COc1ccc(C)cc1COc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid?
The InChIKey is LQMFEUHTZAVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c1-11-4-6-15(20-3)13(8-11)10-21-16-7-5-12(2)9-14(16)17(18)19/h4-9H,10H2,1-3H3,(H,18,19).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid?
2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid has a molecular weight of 286.33 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methoxy]-5-methylbenzoic acid is sourced from PubChem (CID 45447311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).