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

C15H11BrClNO3 — CID 1260892

IUPAC1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H11BrClNO3/c16-13-4-1-12(2-5-13)10-21-15-6-3-11(9-14(15)17)7-8-18(19)20/h1-9H,10H2/b8-7+
InChIKeyCKJBHFJHHCHNLC-BQYQJAHWSA-N
MW368.61 g/mol
LogP4.93
Rot. Bonds5

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

1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene (PubChem CID 1260892) has the molecular formula C15H11BrClNO3 and a molecular weight of 368.61 g/mol. Its IUPAC name is 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
PubChem CID1260892
Molecular FormulaC15H11BrClNO3
Molecular Weight368.61 g/mol
Exact Mass366.96
IUPAC Name1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene
SMILESO=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1
InChIInChI=1S/C15H11BrClNO3/c16-13-4-1-12(2-5-13)10-21-15-6-3-11(9-14(15)17)7-8-18(19)20/h1-9H,10H2/b8-7+
InChIKeyCKJBHFJHHCHNLC-BQYQJAHWSA-N
XLogP4.93
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.61
LogP ≤ 54.93
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

(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoyl chloride
CID 91684850
2-[2-chloro-4-(2-nitroethenyl)phenoxy]acetamide
CID 3597054
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
4-bromo-2-[(E)-2-nitroethenyl]-1-[(4-nitrophenyl)methoxy]benzene
CID 126374464
1-methoxy-2-[(4-methoxyphenyl)methoxy]-4-[(E)-2-nitroethenyl]benzene
CID 10946993
prop-2-ynyl (E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoate
CID 91684865
1-[(3-chlorophenyl)methoxy]-2-ethoxy-4-[(E)-2-nitroethenyl]benzene
CID 6035841
1-(2-ethoxyethoxy)-4-[(E)-2-nitroethenyl]-2-phenylmethoxybenzene
CID 86730339
4-[(4-bromo-2-nitrophenyl)methoxy]-3-chlorobenzaldehyde
CID 114381649
3-chloro-4-[(4-chlorophenyl)methoxy]benzaldehyde
CID 818787
prop-2-enyl (E)-3-[3-chloro-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoate
CID 91684908
3-[3-bromo-4-[(4-bromophenyl)methoxy]phenyl]prop-2-enoic acid
CID 76997982

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene (CID 1260892) is 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene is O=[N+]([O-])/C=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1.
What is the InChIKey of 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene?
The InChIKey is CKJBHFJHHCHNLC-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H11BrClNO3/c16-13-4-1-12(2-5-13)10-21-15-6-3-11(9-14(15)17)7-8-18(19)20/h1-9H,10H2/b8-7+.
What are the key properties of 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene?
1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene has a molecular weight of 368.61 g/mol, XLogP of 4.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromophenyl)methoxy]-2-chloro-4-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 1260892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).