2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene

C10H11NO3 — CID 15128232

IUPAC2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(C)ccc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-8-3-4-9(5-6-11(12)13)10(7-8)14-2/h3-7H,1-2H3/b6-5+
InChIKeyOTCRHQKJRWCHKN-AATRIKPKSA-N
MW193.20 g/mol
LogP2.25
Rot. Bonds3

About 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene

2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene (PubChem CID 15128232) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
PubChem CID15128232
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene
SMILESCOc1cc(C)ccc1/C=C/[N+](=O)[O-]
InChIInChI=1S/C10H11NO3/c1-8-3-4-9(5-6-11(12)13)10(7-8)14-2/h3-7H,1-2H3/b6-5+
InChIKeyOTCRHQKJRWCHKN-AATRIKPKSA-N
XLogP2.25
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 52.25
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

2-methoxy-1-(2-nitroethenyl)-4-(trifluoromethyl)benzene
CID 67165645
1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
4,5-dimethoxy-2-[(E)-2-nitroethenyl]benzaldehyde
CID 134890164
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
(E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoic acid
CID 42638699
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
methyl 3-(2-methoxy-4-methylphenyl)prop-2-enoate
CID 74833578
methyl (E)-3-(2-methoxy-4-methylphenyl)(113C)prop-2-enoate
CID 42638371
6-methoxy-2,3-dimethyl-5-[(Z)-2-nitroethenyl]-1-benzofuran
CID 5383479
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene (CID 15128232) is 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene is COc1cc(C)ccc1/C=C/[N+](=O)[O-].
What is the InChIKey of 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene?
The InChIKey is OTCRHQKJRWCHKN-AATRIKPKSA-N. The full InChI is InChI=1S/C10H11NO3/c1-8-3-4-9(5-6-11(12)13)10(7-8)14-2/h3-7H,1-2H3/b6-5+.
What are the key properties of 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene?
2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene has a molecular weight of 193.20 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-methyl-1-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 15128232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).