[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone

C19H12BrNO3 — CID 174903264

IUPAC[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12BrNO3/c20-15-8-6-13(7-9-15)18-12-16(21(23)24)10-11-17(18)19(22)14-4-2-1-3-5-14/h1-12H
InChIKeyIVEAMJMGAAGBQF-UHFFFAOYSA-N
MW382.21 g/mol
LogP5.26
Rot. Bonds4

About [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone

[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone (PubChem CID 174903264) has the molecular formula C19H12BrNO3 and a molecular weight of 382.21 g/mol. Its IUPAC name is [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone.

Molecular Properties

Compound Name[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
PubChem CID174903264
Molecular FormulaC19H12BrNO3
Molecular Weight382.21 g/mol
Exact Mass381.00
IUPAC Name[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1-c1ccc(Br)cc1
InChIInChI=1S/C19H12BrNO3/c20-15-8-6-13(7-9-15)18-12-16(21(23)24)10-11-17(18)19(22)14-4-2-1-3-5-14/h1-12H
InChIKeyIVEAMJMGAAGBQF-UHFFFAOYSA-N
XLogP5.26
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.21
LogP ≤ 55.26
H-Bond Donors ≤ 50
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-methyl-4-nitrophenyl)-phenylmethanone
CID 12846491
2-(4-bromophenyl)-4-nitrophenol
CID 15039807
(4-bromophenyl)-[2-(4-bromophenyl)phenyl]methanone
CID 141419819
bis(2-benzoyl-5-nitrobenzaldehyde);oxalic acid
CID 174955063
2-(4-chlorophenyl)-4-nitrobenzoic acid
CID 53225851
4-(5-nitro-2-phenylphenyl)phthalic acid
CID 175116891
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591
(E)-N-(2-benzoyl-4-nitrophenyl)-3-(4-bromophenyl)prop-2-enamide
CID 11201786
(3-bromo-5-nitrophenyl)-phenylmethanone
CID 71285821
1-(2-benzoyl-4-bromophenyl)-3-(4-nitrophenyl)urea
CID 3126800
[2-(furan-2-yl)-5-nitrophenyl]-phenylmethanone
CID 168528552
[3-(4-nitrophenyl)naphthalen-1-yl]-phenylmethanone
CID 102418781

Frequently Asked Questions

What is the IUPAC name of [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone?
The IUPAC name of [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone (CID 174903264) is [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone.
What is the SMILES notation for [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone?
The canonical SMILES for [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc([N+](=O)[O-])cc1-c1ccc(Br)cc1.
What is the InChIKey of [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone?
The InChIKey is IVEAMJMGAAGBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12BrNO3/c20-15-8-6-13(7-9-15)18-12-16(21(23)24)10-11-17(18)19(22)14-4-2-1-3-5-14/h1-12H.
What are the key properties of [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone?
[2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone has a molecular weight of 382.21 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-bromophenyl)-4-nitrophenyl]-phenylmethanone is sourced from PubChem (CID 174903264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).