1-ethenyl-2,5-dimethoxy-4-nitrobenzene

C10H11NO4 — CID 54152856

IUPAC1-ethenyl-2,5-dimethoxy-4-nitrobenzene
SMILESC=Cc1cc(OC)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO4/c1-4-7-5-10(15-3)8(11(12)13)6-9(7)14-2/h4-6H,1H2,2-3H3
InChIKeyOIYILYYOIMFCOY-UHFFFAOYSA-N
MW209.20 g/mol
LogP2.26
Rot. Bonds4

About 1-ethenyl-2,5-dimethoxy-4-nitrobenzene

1-ethenyl-2,5-dimethoxy-4-nitrobenzene (PubChem CID 54152856) has the molecular formula C10H11NO4 and a molecular weight of 209.20 g/mol. Its IUPAC name is 1-ethenyl-2,5-dimethoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-ethenyl-2,5-dimethoxy-4-nitrobenzene
PubChem CID54152856
Molecular FormulaC10H11NO4
Molecular Weight209.20 g/mol
Exact Mass209.07
IUPAC Name1-ethenyl-2,5-dimethoxy-4-nitrobenzene
SMILESC=Cc1cc(OC)c([N+](=O)[O-])cc1OC
InChIInChI=1S/C10H11NO4/c1-4-7-5-10(15-3)8(11(12)13)6-9(7)14-2/h4-6H,1H2,2-3H3
InChIKeyOIYILYYOIMFCOY-UHFFFAOYSA-N
XLogP2.26
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 52.26
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-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
CID 59452963
1,4-bis[(E)-2-(4-ethenyl-2,5-dimethoxyphenyl)ethenyl]-2,5-dimethoxybenzene
CID 101045396
5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline
CID 167231996
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
N-[(2,5-dimethoxy-4-nitrophenyl)methylideneamino]aniline
CID 169384053
1-chloro-2,5-dimethoxy-4-nitrobenzene;methanol
CID 174813767
3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enal
CID 54315550
5-methoxy-2,4-dinitrobenzenethiol
CID 101493596
1-chloro-2-methoxy-4-nitro-5-prop-2-enoxybenzene
CID 71300245
9-[(4,5-dimethoxy-2-nitrophenyl)methylidene]fluorene
CID 101464411
1-ethenyl-2-methyl-4-nitro-5-propoxybenzene
CID 67071026
(E)-3-(2-bromo-5-methoxy-4-nitrophenyl)prop-2-enoic acid
CID 171007757

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2,5-dimethoxy-4-nitrobenzene?
The IUPAC name of 1-ethenyl-2,5-dimethoxy-4-nitrobenzene (CID 54152856) is 1-ethenyl-2,5-dimethoxy-4-nitrobenzene.
What is the SMILES notation for 1-ethenyl-2,5-dimethoxy-4-nitrobenzene?
The canonical SMILES for 1-ethenyl-2,5-dimethoxy-4-nitrobenzene is C=Cc1cc(OC)c([N+](=O)[O-])cc1OC.
What is the InChIKey of 1-ethenyl-2,5-dimethoxy-4-nitrobenzene?
The InChIKey is OIYILYYOIMFCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4/c1-4-7-5-10(15-3)8(11(12)13)6-9(7)14-2/h4-6H,1H2,2-3H3.
What are the key properties of 1-ethenyl-2,5-dimethoxy-4-nitrobenzene?
1-ethenyl-2,5-dimethoxy-4-nitrobenzene has a molecular weight of 209.20 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2,5-dimethoxy-4-nitrobenzene is sourced from PubChem (CID 54152856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).