(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid

C17H18O2 — CID 94724465

IUPAC(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
SMILESCc1ccc([C@@H](CCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H18O2/c1-13-7-10-15(11-8-13)16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyCYQNEXFSSMPSNN-MRXNPFEDSA-N
MW254.33 g/mol
LogP3.80
Rot. Bonds5

About (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid

(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid (PubChem CID 94724465) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
PubChem CID94724465
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
SMILESCc1ccc([C@@H](CCc2ccccc2)C(=O)O)cc1
InChIInChI=1S/C17H18O2/c1-13-7-10-15(11-8-13)16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3,(H,18,19)/t16-/m1/s1
InChIKeyCYQNEXFSSMPSNN-MRXNPFEDSA-N
XLogP3.80
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
2-(4-methylphenyl)-4-phenylsulfanylbutanoic acid
CID 79435988
(2S)-2,5-diphenylpentanoic acid
CID 7054365
(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
CID 125466189
(2S)-2,4-bis(4-chlorophenyl)butanoic acid
CID 129322566
CID 144815287
CID 144815287
4-(1-carboxy-4-phenylbutyl)benzoic acid
CID 82136611
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
(2S)-3-chloro-2-(4-methylphenyl)propanoic acid
CID 54042500
(2R)-2-(4-tert-butylphenyl)-4-phenylbutanamide
CID 129383585
4-(4-bromophenyl)-2,2-dimethyl-6-phenylhexan-3-one
CID 13458706

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid?
The IUPAC name of (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid (CID 94724465) is (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid.
What is the SMILES notation for (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid?
The canonical SMILES for (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid is Cc1ccc([C@@H](CCc2ccccc2)C(=O)O)cc1.
What is the InChIKey of (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid?
The InChIKey is CYQNEXFSSMPSNN-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H18O2/c1-13-7-10-15(11-8-13)16(17(18)19)12-9-14-5-3-2-4-6-14/h2-8,10-11,16H,9,12H2,1H3,(H,18,19)/t16-/m1/s1.
What are the key properties of (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid?
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid has a molecular weight of 254.33 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-methylphenyl)-4-phenylbutanoic acid is sourced from PubChem (CID 94724465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).