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

C16H16O2 — CID 117353578

IUPAC2-(4-methyl-3-phenylphenyl)propanoic acid
SMILESCc1ccc(C(C)C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-11-8-9-14(12(2)16(17)18)10-15(11)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyNFKYUYFNZNPKGM-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.85
Rot. Bonds3

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

2-(4-methyl-3-phenylphenyl)propanoic acid (PubChem CID 117353578) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is 2-(4-methyl-3-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name2-(4-methyl-3-phenylphenyl)propanoic acid
PubChem CID117353578
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Name2-(4-methyl-3-phenylphenyl)propanoic acid
SMILESCc1ccc(C(C)C(=O)O)cc1-c1ccccc1
InChIInChI=1S/C16H16O2/c1-11-8-9-14(12(2)16(17)18)10-15(11)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18)
InChIKeyNFKYUYFNZNPKGM-UHFFFAOYSA-N
XLogP3.85
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

sodium;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 172995337
sodium;carbonic acid;2-(3-fluoro-4-phenylphenyl)propanoic acid;hydride
CID 173161937
2-methyl-1-(4-methyl-3-phenylphenyl)propan-1-one
CID 82117119
(2R)-2-(3-methoxy-4-methylphenyl)propanoic acid
CID 118199604
methyl 2-(3,4-diphenylphenyl)propanoate
CID 139706154
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(3-cyano-4-methylphenyl)propanoic acid
CID 130536559
1-(4-methyl-3-phenylphenyl)prop-2-en-1-ol
CID 139935351
2-phenylpropanoic acid;dihydrochloride
CID 162109025
2-phenylpropanoic acid;hydrate
CID 139796091
methane;(2R)-2-phenylpropanoic acid
CID 162174165
2-[4-(2-methylphenyl)phenyl]propanedioic acid
CID 154163660

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-phenylphenyl)propanoic acid?
The IUPAC name of 2-(4-methyl-3-phenylphenyl)propanoic acid (CID 117353578) is 2-(4-methyl-3-phenylphenyl)propanoic acid.
What is the SMILES notation for 2-(4-methyl-3-phenylphenyl)propanoic acid?
The canonical SMILES for 2-(4-methyl-3-phenylphenyl)propanoic acid is Cc1ccc(C(C)C(=O)O)cc1-c1ccccc1.
What is the InChIKey of 2-(4-methyl-3-phenylphenyl)propanoic acid?
The InChIKey is NFKYUYFNZNPKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-11-8-9-14(12(2)16(17)18)10-15(11)13-6-4-3-5-7-13/h3-10,12H,1-2H3,(H,17,18).
What are the key properties of 2-(4-methyl-3-phenylphenyl)propanoic acid?
2-(4-methyl-3-phenylphenyl)propanoic acid has a molecular weight of 240.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-phenylphenyl)propanoic acid is sourced from PubChem (CID 117353578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).