(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone

C19H15NO3 — CID 67094575

IUPAC(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone
SMILESCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H15NO3/c1-2-13-11-17(9-10-18(13)20(22)23)19(21)16-8-7-14-5-3-4-6-15(14)12-16/h3-12H,2H2,1H3
InChIKeyRJLNPDCAOHAZHZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP4.54
Rot. Bonds4

About (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone

(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone (PubChem CID 67094575) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone.

Molecular Properties

Compound Name(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone
PubChem CID67094575
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone
SMILESCCc1cc(C(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-]
InChIInChI=1S/C19H15NO3/c1-2-13-11-17(9-10-18(13)20(22)23)19(21)16-8-7-14-5-3-4-6-15(14)12-16/h3-12H,2H2,1H3
InChIKeyRJLNPDCAOHAZHZ-UHFFFAOYSA-N
XLogP4.54
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 54.54
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

3-ethyl-4-nitrobenzamide
CID 67525718
(3-ethyl-4-nitrobenzoyl) 3-ethyl-4-nitrobenzoate
CID 87266412
dinaphthalen-2-ylmethanone
CID 10945915
2-[(5-benzoyl-2-nitrophenyl)methylamino]butanoic acid
CID 19757064
naphthalen-2-yl(phenyl)(113C)methanone
CID 101359138
(3-bromo-4-nitrophenyl)-phenylmethanone;pentan-3-one
CID 158533600
[4-[4-(naphthalene-2-carbonyl)piperazin-1-yl]-3-nitrophenyl]-phenylmethanone
CID 24680542
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(3-amino-4-nitrophenyl)-phenylmethanone
CID 4017647
[3-[[3-[cyclohexyl(methyl)amino]propylamino]methyl]-4-nitrophenyl]-phenylmethanone
CID 68614275
(3-ethyl-1-methylpyrazol-4-yl)-naphthalen-2-ylmethanone
CID 102811693
bis(4-methyl-3-nitrophenyl)methanone
CID 2259929

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone?
The IUPAC name of (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone (CID 67094575) is (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone.
What is the SMILES notation for (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone?
The canonical SMILES for (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone is CCc1cc(C(=O)c2ccc3ccccc3c2)ccc1[N+](=O)[O-].
What is the InChIKey of (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone?
The InChIKey is RJLNPDCAOHAZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c1-2-13-11-17(9-10-18(13)20(22)23)19(21)16-8-7-14-5-3-4-6-15(14)12-16/h3-12H,2H2,1H3.
What are the key properties of (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone?
(3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone has a molecular weight of 305.33 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-4-nitrophenyl)-naphthalen-2-ylmethanone is sourced from PubChem (CID 67094575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).