4-(5-nitro-2-phenylphenyl)phthalic acid

C20H13NO6 — CID 175116891

IUPAC4-(5-nitro-2-phenylphenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C20H13NO6/c22-19(23)16-8-6-13(10-18(16)20(24)25)17-11-14(21(26)27)7-9-15(17)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyZFQIHVYKAZQNFL-UHFFFAOYSA-N
MW363.33 g/mol
LogP4.33
Rot. Bonds5

About 4-(5-nitro-2-phenylphenyl)phthalic acid

4-(5-nitro-2-phenylphenyl)phthalic acid (PubChem CID 175116891) has the molecular formula C20H13NO6 and a molecular weight of 363.33 g/mol. Its IUPAC name is 4-(5-nitro-2-phenylphenyl)phthalic acid.

Molecular Properties

Compound Name4-(5-nitro-2-phenylphenyl)phthalic acid
PubChem CID175116891
Molecular FormulaC20H13NO6
Molecular Weight363.33 g/mol
Exact Mass363.07
IUPAC Name4-(5-nitro-2-phenylphenyl)phthalic acid
SMILESO=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)cc1C(=O)O
InChIInChI=1S/C20H13NO6/c22-19(23)16-8-6-13(10-18(16)20(24)25)17-11-14(21(26)27)7-9-15(17)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25)
InChIKeyZFQIHVYKAZQNFL-UHFFFAOYSA-N
XLogP4.33
TPSA117.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.33
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(4-nitro-2-phenylphenyl)phenol
CID 174946678
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
bis(4-nitrophthalic acid);zirconium
CID 5176883
4-[2-(3,4-dicarboxyphenyl)phenyl]phthalic acid
CID 19890142
2-(4-chlorophenyl)-5-nitrobenzoic acid
CID 68803337
5-nitro-2-phenylbenzoyl chloride
CID 21406523
2-(3-cyanophenyl)-4-nitrobenzoic acid
CID 53225069
4-chloro-2-(4-nitrophenyl)benzoic acid
CID 175503510
2-[2-(hydroxymethyl)phenyl]-4-nitrobenzoic acid
CID 53225331
(4-nitro-2-phenylphenyl)boronic acid
CID 150240507
2-nitro-4-(3-nitrophenyl)benzoic acid
CID 53226350
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
CID 174903264

Frequently Asked Questions

What is the IUPAC name of 4-(5-nitro-2-phenylphenyl)phthalic acid?
The IUPAC name of 4-(5-nitro-2-phenylphenyl)phthalic acid (CID 175116891) is 4-(5-nitro-2-phenylphenyl)phthalic acid.
What is the SMILES notation for 4-(5-nitro-2-phenylphenyl)phthalic acid?
The canonical SMILES for 4-(5-nitro-2-phenylphenyl)phthalic acid is O=C(O)c1ccc(-c2cc([N+](=O)[O-])ccc2-c2ccccc2)cc1C(=O)O.
What is the InChIKey of 4-(5-nitro-2-phenylphenyl)phthalic acid?
The InChIKey is ZFQIHVYKAZQNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO6/c22-19(23)16-8-6-13(10-18(16)20(24)25)17-11-14(21(26)27)7-9-15(17)12-4-2-1-3-5-12/h1-11H,(H,22,23)(H,24,25).
What are the key properties of 4-(5-nitro-2-phenylphenyl)phthalic acid?
4-(5-nitro-2-phenylphenyl)phthalic acid has a molecular weight of 363.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-nitro-2-phenylphenyl)phthalic acid is sourced from PubChem (CID 175116891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).