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

C16H16O4S — CID 154425701

IUPAC4-(2-phenylphenyl)-4-sulfinobutanoic acid
SMILESO=C(O)CCC(c1ccccc1-c1ccccc1)S(=O)O
InChIInChI=1S/C16H16O4S/c17-16(18)11-10-15(21(19)20)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)(H,19,20)
InChIKeyIPFHRKSGMDYXTD-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.48
Rot. Bonds6

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

4-(2-phenylphenyl)-4-sulfinobutanoic acid (PubChem CID 154425701) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 4-(2-phenylphenyl)-4-sulfinobutanoic acid.

Molecular Properties

Compound Name4-(2-phenylphenyl)-4-sulfinobutanoic acid
PubChem CID154425701
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name4-(2-phenylphenyl)-4-sulfinobutanoic acid
SMILESO=C(O)CCC(c1ccccc1-c1ccccc1)S(=O)O
InChIInChI=1S/C16H16O4S/c17-16(18)11-10-15(21(19)20)14-9-5-4-8-13(14)12-6-2-1-3-7-12/h1-9,15H,10-11H2,(H,17,18)(H,19,20)
InChIKeyIPFHRKSGMDYXTD-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-phenylphenyl)pentanoic acid
CID 67565626
4-(2-phenylphenyl)-2-sulfinobutanoic acid
CID 154425632
2-(2,6-diphenylphenyl)acetic acid
CID 69422987
2-carboxyethyl(triphenyl)phosphanium;hydrochloride
CID 87824769
4,4-bis(2-aminophenyl)butanoic acid
CID 139607855
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
2,2-dimethyl-7-(2-phenylphenyl)non-8-en-3-one
CID 102084613
2-(1,3-dioxoinden-2-yl)pentanedioic acid
CID 91370261
3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
CID 163208297
4-(dimethylamino)-2-(2-phenylphenyl)butanamide
CID 70546597
1-phenyl-3-(2-phenylphenyl)propan-1-one
CID 159880463

Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylphenyl)-4-sulfinobutanoic acid?
The IUPAC name of 4-(2-phenylphenyl)-4-sulfinobutanoic acid (CID 154425701) is 4-(2-phenylphenyl)-4-sulfinobutanoic acid.
What is the SMILES notation for 4-(2-phenylphenyl)-4-sulfinobutanoic acid?
The canonical SMILES for 4-(2-phenylphenyl)-4-sulfinobutanoic acid is O=C(O)CCC(c1ccccc1-c1ccccc1)S(=O)O.
What is the InChIKey of 4-(2-phenylphenyl)-4-sulfinobutanoic acid?
The InChIKey is IPFHRKSGMDYXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4S/c17-16(18)11-10-15(21(19)20)14-9-5-4-8-13(14)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)-4-sulfinobutanoic acid?
4-(2-phenylphenyl)-4-sulfinobutanoic acid has a molecular weight of 304.37 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylphenyl)-4-sulfinobutanoic acid is sourced from PubChem (CID 154425701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).