(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone

C23H15NO4 — CID 1336772

IUPAC(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C23H15NO4/c25-23(17-8-2-1-3-9-17)18-13-14-22(20(15-18)24(26)27)28-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H
InChIKeyBKNJMTKDKMRSEE-UHFFFAOYSA-N
MW369.38 g/mol
LogP5.77
Rot. Bonds5

About (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone

(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone (PubChem CID 1336772) has the molecular formula C23H15NO4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone.

Molecular Properties

Compound Name(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
PubChem CID1336772
Molecular FormulaC23H15NO4
Molecular Weight369.38 g/mol
Exact Mass369.10
IUPAC Name(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Oc2cccc3ccccc23)c([N+](=O)[O-])c1
InChIInChI=1S/C23H15NO4/c25-23(17-8-2-1-3-9-17)18-13-14-22(20(15-18)24(26)27)28-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H
InChIKeyBKNJMTKDKMRSEE-UHFFFAOYSA-N
XLogP5.77
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.38
LogP ≤ 55.77
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-nitro-4-phenoxyphenyl)-phenylmethanone
CID 3531975
[4-(2-methoxy-4-methylphenoxy)-3-nitrophenyl]-phenylmethanone
CID 9112236
N-[3-(4-benzoyl-2-nitrophenoxy)phenyl]acetamide
CID 40628670
3-(4-benzoyl-2-nitrophenoxy)benzaldehyde
CID 9281409
bis(3-nitro-4-phenylmethoxyphenyl)methanone
CID 21234669
1-[3-nitro-4-(2-nitrophenoxy)phenyl]ethanone
CID 9279079
1-(2,5-dimethyl-4-nitrophenoxy)naphthalene
CID 66594066
1-[4-(2-ethylphenoxy)-3-nitrophenyl]ethanone
CID 9282374
[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-3-nitrophenyl]-phenylmethanone
CID 18197474
[4-[4-(naphthalene-1-carbonyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 36726079
1-[4-(2-chlorophenoxy)-3-nitrophenyl]ethanone
CID 9212979
1-(2-methyl-4-nitrophenoxy)naphthalene
CID 13245951

Frequently Asked Questions

What is the IUPAC name of (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone?
The IUPAC name of (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone (CID 1336772) is (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone.
What is the SMILES notation for (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone?
The canonical SMILES for (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Oc2cccc3ccccc23)c([N+](=O)[O-])c1.
What is the InChIKey of (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone?
The InChIKey is BKNJMTKDKMRSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO4/c25-23(17-8-2-1-3-9-17)18-13-14-22(20(15-18)24(26)27)28-21-12-6-10-16-7-4-5-11-19(16)21/h1-15H.
What are the key properties of (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone?
(4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone has a molecular weight of 369.38 g/mol, XLogP of 5.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-naphthalen-1-yloxy-3-nitrophenyl)-phenylmethanone is sourced from PubChem (CID 1336772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).