2-(3-methoxyphenyl)-3-phenylbutanoic acid

C17H18O3 — CID 82140167

IUPAC2-(3-methoxyphenyl)-3-phenylbutanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-12(13-7-4-3-5-8-13)16(17(18)19)14-9-6-10-15(11-14)20-2/h3-12,16H,1-2H3,(H,18,19)
InChIKeyOZRAJPYKQXIBSI-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.67
Rot. Bonds5

About 2-(3-methoxyphenyl)-3-phenylbutanoic acid

2-(3-methoxyphenyl)-3-phenylbutanoic acid (PubChem CID 82140167) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3-phenylbutanoic acid.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3-phenylbutanoic acid
PubChem CID82140167
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name2-(3-methoxyphenyl)-3-phenylbutanoic acid
SMILESCOc1cccc(C(C(=O)O)C(C)c2ccccc2)c1
InChIInChI=1S/C17H18O3/c1-12(13-7-4-3-5-8-13)16(17(18)19)14-9-6-10-15(11-14)20-2/h3-12,16H,1-2H3,(H,18,19)
InChIKeyOZRAJPYKQXIBSI-UHFFFAOYSA-N
XLogP3.67
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-(3-methoxyphenyl)butanoic acid
CID 105465777
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
3-fluoro-3-(3-methoxyphenyl)-2-methylpropanoic acid
CID 105465807
(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
2-(3-methoxyphenyl)-3-oxo-3-(1-phenylethoxy)propanoic acid
CID 129239076
(1S)-1-(3-methoxyphenyl)-4-methyl-1-phenylpentan-3-one
CID 24826621
2-(3-methoxyphenyl)-3-phenoxypropanoic acid
CID 117243370
2-(3-methoxyphenyl)-1-phenylpropan-1-amine
CID 57276567
(2R)-2-(3-methoxyphenyl)propanamide
CID 130713337
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3-phenylbutanoic acid?
The IUPAC name of 2-(3-methoxyphenyl)-3-phenylbutanoic acid (CID 82140167) is 2-(3-methoxyphenyl)-3-phenylbutanoic acid.
What is the SMILES notation for 2-(3-methoxyphenyl)-3-phenylbutanoic acid?
The canonical SMILES for 2-(3-methoxyphenyl)-3-phenylbutanoic acid is COc1cccc(C(C(=O)O)C(C)c2ccccc2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3-phenylbutanoic acid?
The InChIKey is OZRAJPYKQXIBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12(13-7-4-3-5-8-13)16(17(18)19)14-9-6-10-15(11-14)20-2/h3-12,16H,1-2H3,(H,18,19).
What are the key properties of 2-(3-methoxyphenyl)-3-phenylbutanoic acid?
2-(3-methoxyphenyl)-3-phenylbutanoic acid has a molecular weight of 270.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3-phenylbutanoic acid is sourced from PubChem (CID 82140167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).