(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid

C17H16O3 — CID 90334455

IUPAC(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid
SMILESO=C[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-12-14(11-17(19)20)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,12,14H,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyXHJKCJFFMFHQPC-CQSZACIVSA-N
MW268.31 g/mol
LogP3.19
Rot. Bonds6

About (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid

(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid (PubChem CID 90334455) has the molecular formula C17H16O3 and a molecular weight of 268.31 g/mol. Its IUPAC name is (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid.

Molecular Properties

Compound Name(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid
PubChem CID90334455
Molecular FormulaC17H16O3
Molecular Weight268.31 g/mol
Exact Mass268.11
IUPAC Name(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid
SMILESO=C[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C17H16O3/c18-12-14(11-17(19)20)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,12,14H,10-11H2,(H,19,20)/t14-/m1/s1
InChIKeyXHJKCJFFMFHQPC-CQSZACIVSA-N
XLogP3.19
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-benzylpent-4-enoic acid
CID 124641906
ethyl 3-benzyl-4-oxobutanoate
CID 54373110
2-benzyl-4-oxodecanal
CID 166527306
4-[[(2R)-1-carboxy-3-(4-phenylphenyl)propan-2-yl]amino]pent-4-enoic acid
CID 90334439
(2S)-2-amino-3-[4-(4-phenylphenyl)phenyl]propanoic acid;hydrochloride
CID 70131876
3-bromo-4-(4-phenylphenyl)butan-2-one
CID 62393399
(3R)-3-amino-4-(4-phenylphenyl)butan-2-one
CID 159098025
(2R)-2-[(4-phenylphenyl)methyl]butanediamide
CID 154379119
2-(carbamoylamino)-3-(4-phenylphenyl)propanoic acid
CID 102401839
(2S)-2-acetamido-N-[(2S,5R)-5-benzyl-3,6-dioxo-1-phenylhexan-2-yl]-4-methylpentanamide
CID 163523422
(2S)-2-benzyl-4-phenylbutanal
CID 58416977
ethane;3-(4-phenylphenyl)propanoic acid
CID 91257280

Frequently Asked Questions

What is the IUPAC name of (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid?
The IUPAC name of (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid (CID 90334455) is (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid.
What is the SMILES notation for (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid?
The canonical SMILES for (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid is O=C[C@@H](CC(=O)O)Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid?
The InChIKey is XHJKCJFFMFHQPC-CQSZACIVSA-N. The full InChI is InChI=1S/C17H16O3/c18-12-14(11-17(19)20)10-13-6-8-16(9-7-13)15-4-2-1-3-5-15/h1-9,12,14H,10-11H2,(H,19,20)/t14-/m1/s1.
What are the key properties of (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid?
(3R)-3-formyl-4-(4-phenylphenyl)butanoic acid has a molecular weight of 268.31 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-formyl-4-(4-phenylphenyl)butanoic acid is sourced from PubChem (CID 90334455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).