4-(2-phenylphenyl)-2-sulfinobutanoic acid

C16H16O4S — CID 154425632

IUPAC4-(2-phenylphenyl)-2-sulfinobutanoic acid
SMILESO=C(O)C(CCc1ccccc1-c1ccccc1)S(=O)O
InChIInChI=1S/C16H16O4S/c17-16(18)15(21(19)20)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)(H,19,20)
InChIKeyGYFBBJQSTPURGL-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.96
Rot. Bonds6

About 4-(2-phenylphenyl)-2-sulfinobutanoic acid

4-(2-phenylphenyl)-2-sulfinobutanoic acid (PubChem CID 154425632) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-2-sulfinobutanoic acid.

Molecular Properties

Compound Name4-(2-phenylphenyl)-2-sulfinobutanoic acid
PubChem CID154425632
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name4-(2-phenylphenyl)-2-sulfinobutanoic acid
SMILESO=C(O)C(CCc1ccccc1-c1ccccc1)S(=O)O
InChIInChI=1S/C16H16O4S/c17-16(18)15(21(19)20)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)(H,19,20)
InChIKeyGYFBBJQSTPURGL-UHFFFAOYSA-N
XLogP2.96
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(2-phenylphenyl)-2-sulfinobutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-iodo-4-(2-phenylphenyl)butanoic acid
CID 154425626
2-cyano-4-(2-phenylphenyl)butanoic acid
CID 154425646
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463
2-methylidene-4-(2-phenylphenyl)butanoic acid
CID 90170002
2-hydroxy-3-(2-phenylphenyl)propanoic acid
CID 150667818
carbonic acid;1-(6-methylheptyl)-2-phenylbenzene
CID 159621881
1-phenyl-2-[3-(2-phenylphenyl)propyl]benzene
CID 57000067
acetic acid;1-ethyl-2-phenylbenzene
CID 67681814
1-ethyl-2-[2-(2-phenylphenyl)ethyl]benzene
CID 173431013
carbonic acid;1-(2-methylpropyl)-2-phenylbenzene
CID 157367920
4-(2-phenylphenyl)-4-sulfinobutanoic acid
CID 154425701
4-phenyl-2-propan-2-ylsulfinylbutanoic acid
CID 123112541

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-2-sulfinobutanoic acid?
The IUPAC name of 4-(2-phenylphenyl)-2-sulfinobutanoic acid (CID 154425632) is 4-(2-phenylphenyl)-2-sulfinobutanoic acid.
What is the SMILES notation for 4-(2-phenylphenyl)-2-sulfinobutanoic acid?
The canonical SMILES for 4-(2-phenylphenyl)-2-sulfinobutanoic acid is O=C(O)C(CCc1ccccc1-c1ccccc1)S(=O)O.
What is the InChIKey of 4-(2-phenylphenyl)-2-sulfinobutanoic acid?
The InChIKey is GYFBBJQSTPURGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c17-16(18)15(21(19)20)11-10-13-8-4-5-9-14(13)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)(H,19,20).
What are the key properties of 4-(2-phenylphenyl)-2-sulfinobutanoic acid?
4-(2-phenylphenyl)-2-sulfinobutanoic acid has a molecular weight of 304.37 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-2-sulfinobutanoic acid is sourced from PubChem (CID 154425632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).