1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone

C16H15NO4 — CID 62504743

IUPAC1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-11-7-8-16(21-2)13(9-11)15(18)10-12-5-3-4-6-14(12)17(19)20/h3-9H,10H2,1-2H3
InChIKeyYRXFOPGSVAMAJK-UHFFFAOYSA-N
MW285.30 g/mol
LogP3.34
Rot. Bonds5

About 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone

1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone (PubChem CID 62504743) has the molecular formula C16H15NO4 and a molecular weight of 285.30 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
PubChem CID62504743
Molecular FormulaC16H15NO4
Molecular Weight285.30 g/mol
Exact Mass285.10
IUPAC Name1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone
SMILESCOc1ccc(C)cc1C(=O)Cc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C16H15NO4/c1-11-7-8-16(21-2)13(9-11)15(18)10-12-5-3-4-6-14(12)17(19)20/h3-9H,10H2,1-2H3
InChIKeyYRXFOPGSVAMAJK-UHFFFAOYSA-N
XLogP3.34
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 53.34
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

1,2-bis(2-nitrophenyl)ethanone
CID 2750227
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 2-(2-nitrophenyl)acetate
CID 8765919
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanamine
CID 62504909
2-(2-methoxyphenyl)-1-(3-methyl-4-nitrophenyl)ethanone
CID 61079721
methyl 2-methoxy-5-[[[2-(2-nitrophenyl)acetyl]amino]methyl]benzoate
CID 27817613
1-(3,4-dimethylphenyl)-2-(2-nitrophenyl)ethanone
CID 61055483
1-(4-bromo-2-methylphenyl)-2-(2-nitrophenyl)ethanone
CID 61056070
1-(2-methoxyphenyl)-2-(5-methyl-2-nitrophenoxy)ethanone
CID 31885320
1-methoxy-3-(2-nitrophenyl)propan-2-one
CID 63198880
methyl 2-(2-nitrophenyl)acetate
CID 520464
2-(2-methoxyphenyl)-1-(4-methyl-3-nitrophenyl)ethanone
CID 61079905

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone (CID 62504743) is 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone is COc1ccc(C)cc1C(=O)Cc1ccccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone?
The InChIKey is YRXFOPGSVAMAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4/c1-11-7-8-16(21-2)13(9-11)15(18)10-12-5-3-4-6-14(12)17(19)20/h3-9H,10H2,1-2H3.
What are the key properties of 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone?
1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone has a molecular weight of 285.30 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-2-(2-nitrophenyl)ethanone is sourced from PubChem (CID 62504743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).