3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid

C14H20O4 — CID 133241017

IUPAC3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
SMILESCOc1cccc(CC(OCC(C)C)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-10(2)9-18-13(14(15)16)8-11-5-4-6-12(7-11)17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16)
InChIKeyOVCQTCURBLINQW-UHFFFAOYSA-N
MW252.31 g/mol
LogP2.36
Rot. Bonds7

About 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid

3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid (PubChem CID 133241017) has the molecular formula C14H20O4 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
PubChem CID133241017
Molecular FormulaC14H20O4
Molecular Weight252.31 g/mol
Exact Mass252.14
IUPAC Name3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid
SMILESCOc1cccc(CC(OCC(C)C)C(=O)O)c1
InChIInChI=1S/C14H20O4/c1-10(2)9-18-13(14(15)16)8-11-5-4-6-12(7-11)17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16)
InChIKeyOVCQTCURBLINQW-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic 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

(2R)-3-(3-methoxyphenyl)-2-propoxypropanoic acid
CID 100542833
(2R)-2-(4-methoxyphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542673
(2R)-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 42327175
(2R)-2-(3,5-dimethylphenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542546
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2R)-2-(4-chlorophenoxy)-3-(3-methoxyphenyl)propanoic acid
CID 100542483
2-(3-methoxyphenoxy)-3-(3-methylphenyl)propanoic acid
CID 133148719
4-hydroxy-2-[(3-methoxyphenyl)methyl]-5-propan-2-yloxypentanoic acid
CID 79422074
(2S)-2,3-bis(3-methoxyphenyl)propanoic acid
CID 42051269
3-(3-methoxyphenyl)-2-pyrrolidin-1-ylpropanoic acid
CID 82087126
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806
3-(3-methoxyphenyl)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 82141118

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid?
The IUPAC name of 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid (CID 133241017) is 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid.
What is the SMILES notation for 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid?
The canonical SMILES for 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid is COc1cccc(CC(OCC(C)C)C(=O)O)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid?
The InChIKey is OVCQTCURBLINQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O4/c1-10(2)9-18-13(14(15)16)8-11-5-4-6-12(7-11)17-3/h4-7,10,13H,8-9H2,1-3H3,(H,15,16).
What are the key properties of 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid?
3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid has a molecular weight of 252.31 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-2-(2-methylpropoxy)propanoic acid is sourced from PubChem (CID 133241017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).