2-methoxy-5-(2-methylpentoxymethyl)benzoic acid

C15H22O4 — CID 103285867

IUPAC2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
SMILESCCCC(C)COCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C15H22O4/c1-4-5-11(2)9-19-10-12-6-7-14(18-3)13(8-12)15(16)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyZBUITBKGKBHEOZ-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.35
Rot. Bonds8

About 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid

2-methoxy-5-(2-methylpentoxymethyl)benzoic acid (PubChem CID 103285867) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
PubChem CID103285867
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
SMILESCCCC(C)COCc1ccc(OC)c(C(=O)O)c1
InChIInChI=1S/C15H22O4/c1-4-5-11(2)9-19-10-12-6-7-14(18-3)13(8-12)15(16)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17)
InChIKeyZBUITBKGKBHEOZ-UHFFFAOYSA-N
XLogP3.35
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methoxy-5-(2-methylpentoxymethyl)benzoic 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-methoxy-5-(2-propoxyethoxymethyl)benzoic acid
CID 65339096
5-ethyl-2-methoxybenzoic acid
CID 20721149
5-(2-ethoxycarbonylpentyl)-2-methoxybenzoic acid
CID 11022762
1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone
CID 103284445
2-methoxy-5-(1,1,1-trifluoropropan-2-yloxymethyl)benzoic acid
CID 66277064
2-amino-4-methoxy-5-(2-methylpentoxy)benzoic acid
CID 62264681
2-methoxy-5-pentan-2-ylsulfonylbenzoic acid
CID 107890465
5-[[ethyl(2-methylbutyl)amino]methyl]-2-methoxybenzoic acid
CID 79480968
3,5-dimethoxy-4-(2-methylpentoxy)benzoic acid
CID 62265882
2-methoxy-5-[[methyl(pentan-3-yl)amino]methyl]benzoic acid
CID 65339124
1-iodo-4-(2-methylpentoxymethyl)benzene
CID 103284629
2-methoxy-5-(methylsulfonylmethyl)benzoic acid
CID 18464653

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid?
The IUPAC name of 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid (CID 103285867) is 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid.
What is the SMILES notation for 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid?
The canonical SMILES for 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid is CCCC(C)COCc1ccc(OC)c(C(=O)O)c1.
What is the InChIKey of 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid?
The InChIKey is ZBUITBKGKBHEOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-4-5-11(2)9-19-10-12-6-7-14(18-3)13(8-12)15(16)17/h6-8,11H,4-5,9-10H2,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid?
2-methoxy-5-(2-methylpentoxymethyl)benzoic acid has a molecular weight of 266.34 g/mol, XLogP of 3.35, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(2-methylpentoxymethyl)benzoic acid is sourced from PubChem (CID 103285867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).