3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid

C15H11ClO3 — CID 163208297

IUPAC3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
SMILESO=C(O)C(=O)C(Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-13(14(17)15(18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H,(H,18,19)
InChIKeyXPBBRQSMKIRFMY-UHFFFAOYSA-N
MW274.70 g/mol
LogP3.29
Rot. Bonds4

About 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid

3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid (PubChem CID 163208297) has the molecular formula C15H11ClO3 and a molecular weight of 274.70 g/mol. Its IUPAC name is 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid.

Molecular Properties

Compound Name3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
PubChem CID163208297
Molecular FormulaC15H11ClO3
Molecular Weight274.70 g/mol
Exact Mass274.04
IUPAC Name3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid
SMILESO=C(O)C(=O)C(Cl)c1ccccc1-c1ccccc1
InChIInChI=1S/C15H11ClO3/c16-13(14(17)15(18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H,(H,18,19)
InChIKeyXPBBRQSMKIRFMY-UHFFFAOYSA-N
XLogP3.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.70
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl (2R)-2-chloro-2-(2-phenylphenyl)acetate
CID 124634186
1-(dichloromethyl)-2-phenylbenzene;methane
CID 175246566
bis(1,1'-biphenyl);2-(2-phenylphenyl)propanoic acid
CID 70214547
oxalic acid;2-phenylphenol
CID 162319962
2-(2-phenylphenyl)pentanoic acid
CID 67565626
isocyanic acid;1-phenyl-2-propan-2-ylbenzene
CID 174621079
ethane;1-phenyl-2-propan-2-ylbenzene
CID 161308506
4-[2-(1-hydroxyethyl)phenyl]benzoic acid
CID 152687080
2-(5-phenylnaphthalen-1-yl)propanoic acid
CID 21450414
boric acid;1-(2-phenylphenyl)ethanamine
CID 175210638
5-[hydroxy-(2-phenylphenyl)methyl]thiophene-2-carboxylic acid
CID 174588477
4-(2-phenylphenyl)-4-sulfinobutanoic acid
CID 154425701

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid?
The IUPAC name of 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid (CID 163208297) is 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid.
What is the SMILES notation for 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid?
The canonical SMILES for 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid is O=C(O)C(=O)C(Cl)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid?
The InChIKey is XPBBRQSMKIRFMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO3/c16-13(14(17)15(18)19)12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9,13H,(H,18,19).
What are the key properties of 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid?
3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid has a molecular weight of 274.70 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-oxo-3-(2-phenylphenyl)propanoic acid is sourced from PubChem (CID 163208297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).