1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene

C18H18Br2 — CID 6376326

IUPAC1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(\CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18Br2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b18-17-
InChIKeyAJJPHVIWEKNDAK-ZCXUNETKSA-N
MW394.15 g/mol
LogP6.94
Rot. Bonds4

About 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene

1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene (PubChem CID 6376326) has the molecular formula C18H18Br2 and a molecular weight of 394.15 g/mol. Its IUPAC name is 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene.

Molecular Properties

Compound Name1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
PubChem CID6376326
Molecular FormulaC18H18Br2
Molecular Weight394.15 g/mol
Exact Mass391.98
IUPAC Name1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene
SMILESCC/C(=C(\CC)c1ccc(Br)cc1)c1ccc(Br)cc1
InChIInChI=1S/C18H18Br2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b18-17-
InChIKeyAJJPHVIWEKNDAK-ZCXUNETKSA-N
XLogP6.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.15
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-tert-butyl-4-[(E)-4-(4-tert-butylphenyl)hex-3-en-3-yl]benzene
CID 23369110
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1-bromo-4-[1,2,2-tris(4-bromophenyl)ethenyl]benzene
CID 11828419
acetic acid;4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
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1-bromo-4-[(Z)-2-cyclopenta-1,3-dien-1-yl-1-phenylbut-1-enyl]benzene
CID 101481272
1-[4-[3-(4-bromophenyl)propyl]phenyl]propan-1-one
CID 4244816
1-bromo-4-[1-[2-[2-(4-bromophenyl)but-1-enylidene]cyclohexylidene]but-1-en-2-yl]benzene
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acetyl 4-bromobenzoate
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2-[1-(4-bromophenyl)ethylidene]propanedinitrile
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CID 72775371
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CID 15313

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene?
The IUPAC name of 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene (CID 6376326) is 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene.
What is the SMILES notation for 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene?
The canonical SMILES for 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene is CC/C(=C(\CC)c1ccc(Br)cc1)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene?
The InChIKey is AJJPHVIWEKNDAK-ZCXUNETKSA-N. The full InChI is InChI=1S/C18H18Br2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12H,3-4H2,1-2H3/b18-17-.
What are the key properties of 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene?
1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene has a molecular weight of 394.15 g/mol, XLogP of 6.94, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[(Z)-4-(4-bromophenyl)hex-3-en-3-yl]benzene is sourced from PubChem (CID 6376326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).