2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid

C14H20O4 — CID 117242245

IUPAC2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
SMILESCOc1ccc(OCC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-10(2)8-11(14(15)16)9-18-13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyGZOZHJARLKCLLF-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.82
Rot. Bonds7

About 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid

2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid (PubChem CID 117242245) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
PubChem CID117242245
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid
SMILESCOc1ccc(OCC(CC(C)C)C(=O)O)cc1
InChIInChI=1S/C14H20O4/c1-10(2)8-11(14(15)16)9-18-13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,15,16)
InChIKeyGZOZHJARLKCLLF-UHFFFAOYSA-N
XLogP2.82
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic 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-methyl-2-[(4-methylphenoxy)methyl]pentanoic acid
CID 117242212
methyl 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoate
CID 117242247
(4-methoxyphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 5023093
4-(4-methoxyphenoxy)-3-methylbutanoic acid
CID 112508051
2-[[3-(4-methoxyphenyl)propanoylamino]methyl]-4-methylpentanoic acid
CID 119253241
2-[(2-bromophenoxy)methyl]-4-methylpentanoic acid
CID 117242120
(2R)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927075
(2S)-2-[3-(4-methoxyphenoxy)propanoylamino]-4-methylpentanoic acid
CID 92927074
2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282497
(2R)-2-(5-methoxyindol-1-yl)-4-methylpentanoic acid
CID 114282498
3-(4-methoxyphenoxy)-2-(5-methylfuran-2-yl)propanoic acid
CID 117241110
2-[2-(1-carboxy-3-methylbutyl)-4-(2-methylpropoxy)phenyl]-4-methylpentanoic acid
CID 150500133

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid?
The IUPAC name of 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid (CID 117242245) is 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid.
What is the SMILES notation for 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid?
The canonical SMILES for 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid is COc1ccc(OCC(CC(C)C)C(=O)O)cc1.
What is the InChIKey of 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid?
The InChIKey is GZOZHJARLKCLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)8-11(14(15)16)9-18-13-6-4-12(17-3)5-7-13/h4-7,10-11H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid?
2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenoxy)methyl]-4-methylpentanoic acid is sourced from PubChem (CID 117242245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).