2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene

C11H13NO4 — CID 5374508

IUPAC2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C(/C)[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)7-11(9)16-3/h4-7H,1-3H3/b8-6-
InChIKeyPCSLZZWXNFQQHN-VURMDHGXSA-N
MW223.23 g/mol
LogP2.34
Rot. Bonds4

About 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene

2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene (PubChem CID 5374508) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene.

Molecular Properties

Compound Name2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
PubChem CID5374508
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene
SMILESCOc1ccc(/C=C(/C)[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)7-11(9)16-3/h4-7H,1-3H3/b8-6-
InChIKeyPCSLZZWXNFQQHN-VURMDHGXSA-N
XLogP2.34
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.34
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

1,2,5-trimethoxy-3-(2-nitroprop-1-enyl)benzene
CID 620061
4-methoxy-2-[(E)-2-nitroprop-1-enyl]benzoic acid
CID 23456599
1,2,3-trimethoxy-4-[(E)-2-nitroprop-1-enyl]benzene
CID 6537121
1-bromo-4,5-dimethoxy-2-[(E)-2-nitroprop-1-enyl]benzene
CID 6150063
1-(3-bromo-2-methylprop-1-enyl)-2,4-dimethoxybenzene
CID 79322600
(E)-2-bromo-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 143192374
1,4-dimethoxy-2-[(E)-2-nitrobut-1-enyl]benzene
CID 55016919
2-[(2,4-dimethoxyphenyl)methylidene]-3-methylbutanal
CID 79016965
2,4-dimethoxy-1-[2-(4-methylphenyl)prop-1-enyl]benzene
CID 59073216
2,4-dimethoxy-1-[(E)-2-(4-nitrophenyl)ethenyl]benzene
CID 6000919
1,4-dimethoxy-2-(2-nitroprop-1-enyl)-5-pentylbenzene
CID 154270012
4,6-dimethoxy-2-[2-(2-nitroprop-1-enyl)phenoxy]pyrimidine
CID 67671717

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene?
The IUPAC name of 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene (CID 5374508) is 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene.
What is the SMILES notation for 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene?
The canonical SMILES for 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene is COc1ccc(/C=C(/C)[N+](=O)[O-])c(OC)c1.
What is the InChIKey of 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene?
The InChIKey is PCSLZZWXNFQQHN-VURMDHGXSA-N. The full InChI is InChI=1S/C11H13NO4/c1-8(12(13)14)6-9-4-5-10(15-2)7-11(9)16-3/h4-7H,1-3H3/b8-6-.
What are the key properties of 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene?
2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene has a molecular weight of 223.23 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethoxy-1-[(Z)-2-nitroprop-1-enyl]benzene is sourced from PubChem (CID 5374508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).