1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene

C15H12BrNO3 — CID 53434856

IUPAC1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrNO3/c1-20-13-9-8-12(15(10-13)17(18)19)7-6-11-4-2-3-5-14(11)16/h2-10H,1H3
InChIKeyBKVTVHCAKMKBTR-UHFFFAOYSA-N
MW334.17 g/mol
LogP4.54
Rot. Bonds4

About 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene

1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene (PubChem CID 53434856) has the molecular formula C15H12BrNO3 and a molecular weight of 334.17 g/mol. Its IUPAC name is 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene.

Molecular Properties

Compound Name1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
PubChem CID53434856
Molecular FormulaC15H12BrNO3
Molecular Weight334.17 g/mol
Exact Mass333.00
IUPAC Name1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene
SMILESCOc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1
InChIInChI=1S/C15H12BrNO3/c1-20-13-9-8-12(15(10-13)17(18)19)7-6-11-4-2-3-5-14(11)16/h2-10H,1H3
InChIKeyBKVTVHCAKMKBTR-UHFFFAOYSA-N
XLogP4.54
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 54.54
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-bromophenyl)ethenyl]-4-methyl-2-nitrobenzene
CID 818054
1-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-4-methoxy-2-nitrobenzene
CID 25050646
1-[(E)-2-(2-bromophenyl)ethenyl]-4-chloro-2-nitrobenzene
CID 10712090
1-(3-bromoprop-1-enyl)-4-methoxy-2-nitrobenzene
CID 68696051
methyl (Z)-3-(4-methoxy-2-nitrophenyl)prop-2-enoate
CID 140551592
1-[2-(4-methoxyphenyl)ethenyl]-2-nitrobenzene
CID 73187719
2-bromo-4-methoxy-1-[(E)-2-nitroethenyl]benzene
CID 130534287
4-(2-bromo-4-methoxyphenoxy)-2-nitrobenzaldehyde
CID 177352375
1-[2-(2,4-dimethoxyphenyl)ethenyl]-2,4-dinitrobenzene
CID 4178347
4-(4-methoxy-2-nitrophenyl)but-3-en-1-ol
CID 170477231
(4-methoxy-2-nitrophenyl) 3-(2-nitrophenyl)prop-2-enoate
CID 76859394
(E)-3-(4-methoxy-2-nitrophenyl)-2-methylprop-2-enoic acid
CID 66774250

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The IUPAC name of 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene (CID 53434856) is 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene.
What is the SMILES notation for 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The canonical SMILES for 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene is COc1ccc(C=Cc2ccccc2Br)c([N+](=O)[O-])c1.
What is the InChIKey of 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene?
The InChIKey is BKVTVHCAKMKBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrNO3/c1-20-13-9-8-12(15(10-13)17(18)19)7-6-11-4-2-3-5-14(11)16/h2-10H,1H3.
What are the key properties of 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene?
1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene has a molecular weight of 334.17 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-bromophenyl)ethenyl]-4-methoxy-2-nitrobenzene is sourced from PubChem (CID 53434856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).