4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid

C16H13NO4 — CID 88970474

IUPAC4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid
SMILESO=Nc1ccc(C(=O)CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H13NO4/c18-15(12-6-8-13(17-21)9-7-12)10-14(16(19)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)
InChIKeyVIPFPQYZCYRKFX-UHFFFAOYSA-N
MW283.28 g/mol
LogP3.53
Rot. Bonds6

About 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid

4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid (PubChem CID 88970474) has the molecular formula C16H13NO4 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid.

Molecular Properties

Compound Name4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid
PubChem CID88970474
Molecular FormulaC16H13NO4
Molecular Weight283.28 g/mol
Exact Mass283.08
IUPAC Name4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid
SMILESO=Nc1ccc(C(=O)CC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C16H13NO4/c18-15(12-6-8-13(17-21)9-7-12)10-14(16(19)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20)
InChIKeyVIPFPQYZCYRKFX-UHFFFAOYSA-N
XLogP3.53
TPSA83.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-oxo-2,4-diphenylbutanoic acid
CID 6950859
(2S)-4-oxo-2,4-diphenylbutanoate
CID 6950858
(2R)-2-(4-chlorophenyl)-4-oxo-4-phenylbutanoic acid
CID 1483936
2-phenylbutanedioic acid
CID 161009404
(3R)-1,3-diphenylpentane-1,4-dione
CID 90658388
2-(4-nitrosophenyl)butanoic acid
CID 175674505
europium;tris(2-phenylbutanedioic acid)
CID 156846982
(2R)-1-(4-chlorophenyl)-2,4-diphenylbutane-1,4-dione
CID 135053959
(2S)-2-(3-bromophenyl)-4-(4-chlorophenyl)-4-oxobutanoic acid
CID 1483970
4-(4-chlorophenyl)-2-(3-fluorophenyl)-4-oxobutanoic acid
CID 2764251
1-naphthalen-2-yl-2,4-diphenylbutane-1,4-dione
CID 102389148
4-oxo-2-phenylhexanoic acid
CID 13284198

Frequently Asked Questions

What is the IUPAC name of 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid?
The IUPAC name of 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid (CID 88970474) is 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid.
What is the SMILES notation for 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid?
The canonical SMILES for 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid is O=Nc1ccc(C(=O)CC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid?
The InChIKey is VIPFPQYZCYRKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4/c18-15(12-6-8-13(17-21)9-7-12)10-14(16(19)20)11-4-2-1-3-5-11/h1-9,14H,10H2,(H,19,20).
What are the key properties of 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid?
4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid has a molecular weight of 283.28 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-nitrosophenyl)-4-oxo-2-phenylbutanoic acid is sourced from PubChem (CID 88970474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).