1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene

C15H11Br3 — CID 56606420

IUPAC1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene
SMILESC/C=C(/c1ccccc1)c1ccc(Br)c(Br)c1Br
InChIInChI=1S/C15H11Br3/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(16)15(18)14(12)17/h2-9H,1H3/b11-2-
InChIKeyXZTPOPYCFSDHED-FUQNDXKWSA-N
MW430.97 g/mol
LogP6.43
Rot. Bonds2

About 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene

1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene (PubChem CID 56606420) has the molecular formula C15H11Br3 and a molecular weight of 430.97 g/mol. Its IUPAC name is 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene.

Molecular Properties

Compound Name1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene
PubChem CID56606420
Molecular FormulaC15H11Br3
Molecular Weight430.97 g/mol
Exact Mass427.84
IUPAC Name1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene
SMILESC/C=C(/c1ccccc1)c1ccc(Br)c(Br)c1Br
InChIInChI=1S/C15H11Br3/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(16)15(18)14(12)17/h2-9H,1H3/b11-2-
InChIKeyXZTPOPYCFSDHED-FUQNDXKWSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.97
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-bromo-4-[(Z)-1-phenylprop-1-enyl]benzene
CID 71096941
1-methyl-2-(1-phenylprop-1-enyl)benzene
CID 54442405
1-(1-phenylprop-1-enyl)naphthalene
CID 54216225
1-bromo-4-(2,2-diphenylethenyl)naphthalene
CID 142672723
[2-(2,2-diphenylethenyldiselanyl)-1-phenylethenyl]benzene
CID 134932536
1-methyl-3-(1-phenylprop-1-enyl)benzene
CID 54065155
N,N-dimethyl-4-[(E)-1-phenylprop-1-enyl]aniline
CID 5382979
1-bromo-4-[(E)-2-bromo-1-phenylethenyl]benzene
CID 44719904
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
diphenyl-[2-[2-[(E)-1-phenylprop-1-enyl]phenyl]phenyl]phosphane
CID 164669457
4-phenylhexa-2,4-dien-3-ylbenzene
CID 2802592

Frequently Asked Questions

What is the IUPAC name of 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene?
The IUPAC name of 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene (CID 56606420) is 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene.
What is the SMILES notation for 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene?
The canonical SMILES for 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene is C/C=C(/c1ccccc1)c1ccc(Br)c(Br)c1Br.
What is the InChIKey of 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene?
The InChIKey is XZTPOPYCFSDHED-FUQNDXKWSA-N. The full InChI is InChI=1S/C15H11Br3/c1-2-11(10-6-4-3-5-7-10)12-8-9-13(16)15(18)14(12)17/h2-9H,1H3/b11-2-.
What are the key properties of 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene?
1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene has a molecular weight of 430.97 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-tribromo-4-[(Z)-1-phenylprop-1-enyl]benzene is sourced from PubChem (CID 56606420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).