(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid

C24H24O2 — CID 142061345

IUPAC(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
SMILESCC(CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C24H24O2/c1-18(20-8-4-2-5-9-20)16-23(24(25)26)17-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,25,26)
InChIKeySZTMYEQDFUKDTQ-UHFFFAOYSA-N
MW344.45 g/mol
LogP5.79
Rot. Bonds7

About (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid

(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid (PubChem CID 142061345) has the molecular formula C24H24O2 and a molecular weight of 344.45 g/mol. Its IUPAC name is (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid.

Molecular Properties

Compound Name(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
PubChem CID142061345
Molecular FormulaC24H24O2
Molecular Weight344.45 g/mol
Exact Mass344.18
IUPAC Name(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid
SMILESCC(CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1
InChIInChI=1S/C24H24O2/c1-18(20-8-4-2-5-9-20)16-23(24(25)26)17-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,25,26)
InChIKeySZTMYEQDFUKDTQ-UHFFFAOYSA-N
XLogP5.79
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.45
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(aminomethyl)-3-(4-phenylphenyl)propanoic acid
CID 29061371
2-benzyl-4-methylpentanoic acid
CID 15416243
1-phenyl-4-[1-(4-phenylphenyl)propan-2-yl]benzene
CID 142290495
3-methyl-2-[(4-phenylphenyl)methyl]butanoic acid
CID 116930683
2-[(4-butan-2-ylphenyl)methyl]butanoic acid
CID 116930604
(2S,5R)-2-benzyl-5-methyl-4-oxo-6-phenylhexanoic acid
CID 71031571
2-[[ethyl(hydroxy)phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
CID 90197101
1,4-bis(2-phenylpropyl)benzene
CID 19376086
(2R,4S)-4-amino-2-methyl-5-(4-phenylphenyl)pentanoic acid;hypochlorous acid
CID 122454136
3-methyl-5-phenylhexan-2-one
CID 22898138
barium(2+);hydride;2-(2-phenylpropyl)propanedioic acid
CID 174968808
(2R)-2-(azaniumylmethyl)-3-(4-phenylphenyl)propanoate
CID 29061370

Frequently Asked Questions

What is the IUPAC name of (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid?
The IUPAC name of (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid (CID 142061345) is (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid.
What is the SMILES notation for (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid?
The canonical SMILES for (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid is CC(CC(Cc1ccc(-c2ccccc2)cc1)C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid?
The InChIKey is SZTMYEQDFUKDTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O2/c1-18(20-8-4-2-5-9-20)16-23(24(25)26)17-19-12-14-22(15-13-19)21-10-6-3-7-11-21/h2-15,18,23H,16-17H2,1H3,(H,25,26).
What are the key properties of (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid?
(2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid has a molecular weight of 344.45 g/mol, XLogP of 5.79, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-phenyl-2-[(4-phenylphenyl)methyl]pentanoic acid is sourced from PubChem (CID 142061345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).