(3-nitro-4-phenoxyphenyl)-phenylmethanone

C19H13NO4 — CID 3531975

IUPAC(3-nitro-4-phenoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13NO4/c21-19(14-7-3-1-4-8-14)15-11-12-18(17(13-15)20(22)23)24-16-9-5-2-6-10-16/h1-13H
InChIKeyYXZJCHUWMLEWGT-UHFFFAOYSA-N
MW319.32 g/mol
LogP4.62
Rot. Bonds5

About (3-nitro-4-phenoxyphenyl)-phenylmethanone

(3-nitro-4-phenoxyphenyl)-phenylmethanone (PubChem CID 3531975) has the molecular formula C19H13NO4 and a molecular weight of 319.32 g/mol. Its IUPAC name is (3-nitro-4-phenoxyphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-nitro-4-phenoxyphenyl)-phenylmethanone
PubChem CID3531975
Molecular FormulaC19H13NO4
Molecular Weight319.32 g/mol
Exact Mass319.08
IUPAC Name(3-nitro-4-phenoxyphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C19H13NO4/c21-19(14-7-3-1-4-8-14)15-11-12-18(17(13-15)20(22)23)24-16-9-5-2-6-10-16/h1-13H
InChIKeyYXZJCHUWMLEWGT-UHFFFAOYSA-N
XLogP4.62
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 54.62
H-Bond Donors ≤ 50
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

3-(4-benzoyl-2-nitrophenoxy)benzaldehyde
CID 9281409
N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide
CID 40628670
(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
CID 1336772
[3,4-bis(4-nitrophenoxy)phenyl]-phenylmethanone
CID 139816675
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrophenyl]-phenylmethanone
CID 18197474
[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]-phenylmethanone
CID 9112236
propyl 3-nitro-4-phenoxybenzoate
CID 59878183
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
[4-(4-morpholin-4-ylsulfonyl-2-nitrophenoxy)phenyl]-phenylmethanone
CID 3419946
1-[4-(3-iodophenoxy)-3-nitrophenyl]ethanone
CID 9112145
1-[4-(4-methylphenoxy)-3-nitrophenyl]ethanone
CID 9213139
[2-((1,2,3,4,5,6-13C6)cyclohexatrienyloxy)-4-nitrophenyl]-phenylmethanone
CID 71751591

Frequently Asked Questions

What is the IUPAC name of (3-nitro-4-phenoxyphenyl)-phenylmethanone?
The IUPAC name of (3-nitro-4-phenoxyphenyl)-phenylmethanone (CID 3531975) is (3-nitro-4-phenoxyphenyl)-phenylmethanone.
What is the SMILES notation for (3-nitro-4-phenoxyphenyl)-phenylmethanone?
The canonical SMILES for (3-nitro-4-phenoxyphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Oc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of (3-nitro-4-phenoxyphenyl)-phenylmethanone?
The InChIKey is YXZJCHUWMLEWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO4/c21-19(14-7-3-1-4-8-14)15-11-12-18(17(13-15)20(22)23)24-16-9-5-2-6-10-16/h1-13H.
What are the key properties of (3-nitro-4-phenoxyphenyl)-phenylmethanone?
(3-nitro-4-phenoxyphenyl)-phenylmethanone has a molecular weight of 319.32 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-nitro-4-phenoxyphenyl)-phenylmethanone is sourced from PubChem (CID 3531975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).