[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene

C16H15Br — CID 129162911

IUPAC[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene
SMILESC=C(/C=C\c1ccccc1)C1=CC=C(Br)CC1
InChIInChI=1S/C16H15Br/c1-13(15-9-11-16(17)12-10-15)7-8-14-5-3-2-4-6-14/h2-9,11H,1,10,12H2/b8-7-
InChIKeyLDRDHLOOYRRYRG-FPLPWBNLSA-N
MW287.20 g/mol
LogP5.26
Rot. Bonds3

About [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene

[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene (PubChem CID 129162911) has the molecular formula C16H15Br and a molecular weight of 287.20 g/mol. Its IUPAC name is [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene
PubChem CID129162911
Molecular FormulaC16H15Br
Molecular Weight287.20 g/mol
Exact Mass286.04
IUPAC Name[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene
SMILESC=C(/C=C\c1ccccc1)C1=CC=C(Br)CC1
InChIInChI=1S/C16H15Br/c1-13(15-9-11-16(17)12-10-15)7-8-14-5-3-2-4-6-14/h2-9,11H,1,10,12H2/b8-7-
InChIKeyLDRDHLOOYRRYRG-FPLPWBNLSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.20
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

N-(4-phenylbuta-1,3-dien-2-yl)hydroxylamine
CID 5080488
(E)-3-phenyl-1-(4-quinoxalin-2-ylcyclohexa-1,3-dien-1-yl)prop-2-en-1-one
CID 145210922
[(1Z)-3-methoxybuta-1,3-dienyl]benzene
CID 24972289
azane;2-methylidene-4-phenylbut-3-enoic acid
CID 173161880
1-(2-bromocyclohexen-1-yl)-3-phenylprop-2-en-1-one
CID 130300543
(E)-2,2-dimethyl-3-methylidene-5-phenylpent-4-enal
CID 10584199
(Z)-3-phenylprop-2-enoic acid
CID 5372954
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
(3,4-difluoro-6-phenylhexa-1,3,5-trienyl)benzene
CID 53441080
3-methylidenehexa-1,5-dienylbenzene
CID 91462771
[(1E,4Z)-6-methyl-3-methylidenehepta-1,4,6-trienyl]benzene
CID 142883812
[(1Z,3Z)-3-bromopenta-1,3-dienyl]benzene
CID 143617374

Frequently Asked Questions

What is the IUPAC name of [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene?
The IUPAC name of [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene (CID 129162911) is [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene.
What is the SMILES notation for [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene?
The canonical SMILES for [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene is C=C(/C=C\c1ccccc1)C1=CC=C(Br)CC1.
What is the InChIKey of [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene?
The InChIKey is LDRDHLOOYRRYRG-FPLPWBNLSA-N. The full InChI is InChI=1S/C16H15Br/c1-13(15-9-11-16(17)12-10-15)7-8-14-5-3-2-4-6-14/h2-9,11H,1,10,12H2/b8-7-.
What are the key properties of [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene?
[(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene has a molecular weight of 287.20 g/mol, XLogP of 5.26, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1Z)-3-(4-bromocyclohexa-1,3-dien-1-yl)buta-1,3-dienyl]benzene is sourced from PubChem (CID 129162911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).