2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone

C15H13NO4 — CID 61079159

IUPAC2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO4/c1-20-15-5-3-2-4-12(15)10-14(17)11-6-8-13(9-7-11)16(18)19/h2-9H,10H2,1H3
InChIKeyHJKUJKLLKCVMGR-UHFFFAOYSA-N
MW271.27 g/mol
LogP3.03
Rot. Bonds5

About 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone

2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone (PubChem CID 61079159) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone.

Molecular Properties

Compound Name2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
PubChem CID61079159
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone
SMILESCOc1ccccc1CC(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C15H13NO4/c1-20-15-5-3-2-4-12(15)10-14(17)11-6-8-13(9-7-11)16(18)19/h2-9H,10H2,1H3
InChIKeyHJKUJKLLKCVMGR-UHFFFAOYSA-N
XLogP3.03
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 53.03
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

2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079905
2-(2-methoxyphenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079721
N-[(Z)-1-(2-methoxyphenyl)propan-2-ylideneamino]-4-nitrobenzamide
CID 9015021
1-(4-bromophenyl)-2-(2-methoxyphenyl)ethanone
CID 43160435
1-[4-(2-aminoethyl)phenyl]-2-(2-methoxyphenyl)ethanone
CID 116577781
1,2-bis[(2-methoxyphenyl)methoxy]-4-nitrobenzene
CID 142794424
2-(2-methoxy-4-nitrophenoxy)-1-phenylethanone
CID 60606157
2-methoxy-N-[(2-methoxyphenyl)methyl]-5-nitrobenzamide
CID 9270256
methyl 2-methoxy-5-[2-(4-nitrophenyl)-2-oxoethyl]benzoate
CID 165436392
1-(2,6-dimethoxyphenyl)-2-(2-methoxyphenyl)ethanone
CID 61080267
[2-[4-(4-nitrobenzoyl)oxyphenyl]-2-oxoethyl] 2-methoxybenzoate
CID 19645428
2-[2-(2-methoxyphenoxy)-5-nitrophenyl]acetic acid
CID 134869553

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone?
The IUPAC name of 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone (CID 61079159) is 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone.
What is the SMILES notation for 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone?
The canonical SMILES for 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone is COc1ccccc1CC(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone?
The InChIKey is HJKUJKLLKCVMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO4/c1-20-15-5-3-2-4-12(15)10-14(17)11-6-8-13(9-7-11)16(18)19/h2-9H,10H2,1H3.
What are the key properties of 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone?
2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone has a molecular weight of 271.27 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyphenyl)-1-(4-nitrophenyl)ethanone is sourced from PubChem (CID 61079159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).