(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid

C19H22O2 — CID 125466189

IUPAC(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14(2)17-10-6-7-15(13-17)11-12-18(19(20)21)16-8-4-3-5-9-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyZWQGZSJREJNPNI-GOSISDBHSA-N
MW282.38 g/mol
LogP4.61
Rot. Bonds6

About (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid

(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid (PubChem CID 125466189) has the molecular formula C19H22O2 and a molecular weight of 282.38 g/mol. Its IUPAC name is (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
PubChem CID125466189
Molecular FormulaC19H22O2
Molecular Weight282.38 g/mol
Exact Mass282.16
IUPAC Name(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid
SMILESCC(C)c1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1
InChIInChI=1S/C19H22O2/c1-14(2)17-10-6-7-15(13-17)11-12-18(19(20)21)16-8-4-3-5-9-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,20,21)/t18-/m1/s1
InChIKeyZWQGZSJREJNPNI-GOSISDBHSA-N
XLogP4.61
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-4-(3-ethylphenyl)-2-phenylbutanoic acid
CID 125466001
(2R)-4-(3-methoxyphenyl)-2-phenylbutanoic acid
CID 95561857
2-(3-methylphenyl)-4-phenylbutanoic acid
CID 79436887
(2R)-2-(4-methylphenyl)-4-phenylbutanoic acid
CID 94724465
4-(3-propan-2-ylphenyl)butan-2-one
CID 129128469
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-[3-(3,3-difluoropropyl)phenyl]propanoic acid
CID 84691838
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891
2-(3-propylphenyl)butanoic acid
CID 116545486
N-methyl-3-(3-propan-2-ylphenyl)propanamide
CID 122496353
7-methyl-2-phenyloctanoic acid
CID 83162771
(2S)-4-(3-methoxyphenyl)-2-pyridin-3-ylbutanoic acid
CID 125491469

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid?
The IUPAC name of (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid (CID 125466189) is (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid.
What is the SMILES notation for (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid?
The canonical SMILES for (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid is CC(C)c1cccc(CC[C@@H](C(=O)O)c2ccccc2)c1.
What is the InChIKey of (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid?
The InChIKey is ZWQGZSJREJNPNI-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22O2/c1-14(2)17-10-6-7-15(13-17)11-12-18(19(20)21)16-8-4-3-5-9-16/h3-10,13-14,18H,11-12H2,1-2H3,(H,20,21)/t18-/m1/s1.
What are the key properties of (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid?
(2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid has a molecular weight of 282.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-4-(3-propan-2-ylphenyl)butanoic acid is sourced from PubChem (CID 125466189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).