3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid

C17H18O3 — CID 59522903

IUPAC3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
SMILESCc1cc(OCc2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C17H18O3/c1-13-11-16(9-7-15(13)8-10-17(18)19)20-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyAMHAIFVHMQLRSJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.59
Rot. Bonds6

About 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid

3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid (PubChem CID 59522903) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
PubChem CID59522903
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid
SMILESCc1cc(OCc2ccccc2)ccc1CCC(=O)O
InChIInChI=1S/C17H18O3/c1-13-11-16(9-7-15(13)8-10-17(18)19)20-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19)
InChIKeyAMHAIFVHMQLRSJ-UHFFFAOYSA-N
XLogP3.59
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2-methyl-4-phenylmethoxyphenyl)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

1-(2-methyl-4-phenylmethoxyphenyl)heptan-4-one
CID 83937135
3-(4-methoxy-2-phenylmethoxyphenyl)propanoic acid
CID 71348441
tert-butyl 2-(2-methyl-4-phenylmethoxyphenyl)acetate
CID 70856270
2-methyl-1-pent-3-ynyl-4-phenylmethoxybenzene
CID 83937148
1-amino-4-(2-methyl-4-phenylmethoxyphenyl)butan-2-ol
CID 83937170
3-(5-phenylmethoxy-1-benzothiophen-3-yl)propanoic acid
CID 19696816
N-methyl-1-(2-methyl-4-phenylmethoxyphenyl)methanamine
CID 82553597
3-[4-[(2-cyclopentylcyclopenten-1-yl)methoxy]-2-methylphenyl]propanoic acid
CID 139480051
3-[2-fluoro-4-[[3-(2,4,6-trimethylphenyl)phenyl]methoxy]phenyl]propanoic acid
CID 58903194
3-[2-fluoro-4-[[4-[(2Z)-2-methoxyimino-2-phenylethoxy]phenyl]methoxy]phenyl]propanoic acid
CID 56640142
2-(2-chloro-4-phenylmethoxyphenyl)acetic acid
CID 4241746
2-(2-ethoxy-4-phenylmethoxyphenyl)acetic acid
CID 22087415

Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid (CID 59522903) is 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid is Cc1cc(OCc2ccccc2)ccc1CCC(=O)O.
What is the InChIKey of 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is AMHAIFVHMQLRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-13-11-16(9-7-15(13)8-10-17(18)19)20-12-14-5-3-2-4-6-14/h2-7,9,11H,8,10,12H2,1H3,(H,18,19).
What are the key properties of 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid?
3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 59522903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).