2-[4-(3-nitrophenyl)phenyl]acetic acid

C14H11NO4 — CID 82039210

IUPAC2-[4-(3-nitrophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11NO4/c16-14(17)8-10-4-6-11(7-5-10)12-2-1-3-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17)
InChIKeyTZVFSDNSAHBDMV-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-(3-nitrophenyl)phenyl]acetic acid

2-[4-(3-nitrophenyl)phenyl]acetic acid (PubChem CID 82039210) has the molecular formula C14H11NO4 and a molecular weight of 257.25 g/mol. Its IUPAC name is 2-[4-(3-nitrophenyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-nitrophenyl)phenyl]acetic acid
PubChem CID82039210
Molecular FormulaC14H11NO4
Molecular Weight257.25 g/mol
Exact Mass257.07
IUPAC Name2-[4-(3-nitrophenyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1
InChIInChI=1S/C14H11NO4/c16-14(17)8-10-4-6-11(7-5-10)12-2-1-3-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17)
InChIKeyTZVFSDNSAHBDMV-UHFFFAOYSA-N
XLogP2.89
TPSA80.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[(3-nitrophenyl)sulfanylmethyl]phenyl]acetic acid
CID 130409085
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
2-[4-(3-nitrophenyl)phenyl]ethanamine
CID 54428619
5-[4-(3-nitrophenyl)phenyl]-5-oxopentanoic acid
CID 174656927
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
formic acid;1-nitro-3-phenylbenzene
CID 158057338
2-[3-(3-nitrophenyl)-6-oxo-1H-pyridazin-5-yl]acetic acid
CID 82446435
calcium;hydride;2-(4-phenylphenyl)acetic acid
CID 174946649
2-amino-1-[5-(3-nitrophenyl)furan-2-yl]ethanone
CID 170860008
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
2-[4-[3-(dimethylamino)phenyl]phenyl]acetic acid
CID 39226081
N-(2-chloro-5-nitrophenyl)-2-(4-phenylphenyl)acetamide
CID 92556751

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-nitrophenyl)phenyl]acetic acid?
The IUPAC name of 2-[4-(3-nitrophenyl)phenyl]acetic acid (CID 82039210) is 2-[4-(3-nitrophenyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(3-nitrophenyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-(3-nitrophenyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2cccc([N+](=O)[O-])c2)cc1.
What is the InChIKey of 2-[4-(3-nitrophenyl)phenyl]acetic acid?
The InChIKey is TZVFSDNSAHBDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO4/c16-14(17)8-10-4-6-11(7-5-10)12-2-1-3-13(9-12)15(18)19/h1-7,9H,8H2,(H,16,17).
What are the key properties of 2-[4-(3-nitrophenyl)phenyl]acetic acid?
2-[4-(3-nitrophenyl)phenyl]acetic acid has a molecular weight of 257.25 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-nitrophenyl)phenyl]acetic acid is sourced from PubChem (CID 82039210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).