[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene

C14H17BrO — CID 101047843

IUPAC[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene
SMILESC=C/C(Br)=C/CC(Cc1ccccc1)OC
InChIInChI=1S/C14H17BrO/c1-3-13(15)9-10-14(16-2)11-12-7-5-4-6-8-12/h3-9,14H,1,10-11H2,2H3/b13-9-
InChIKeyDPMZURUJIFECSC-LCYFTJDESA-N
MW281.19 g/mol
LogP4.10
Rot. Bonds6

About [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene

[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene (PubChem CID 101047843) has the molecular formula C14H17BrO and a molecular weight of 281.19 g/mol. Its IUPAC name is [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene.

Molecular Properties

Compound Name[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene
PubChem CID101047843
Molecular FormulaC14H17BrO
Molecular Weight281.19 g/mol
Exact Mass280.05
IUPAC Name[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene
SMILESC=C/C(Br)=C/CC(Cc1ccccc1)OC
InChIInChI=1S/C14H17BrO/c1-3-13(15)9-10-14(16-2)11-12-7-5-4-6-8-12/h3-9,14H,1,10-11H2,2H3/b13-9-
InChIKeyDPMZURUJIFECSC-LCYFTJDESA-N
XLogP4.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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(1R)-1-methoxy-2-phenylethanolate
CID 138975642
benzyl N-[(5Z)-6-bromoocta-5,7-dien-1-yn-3-yl]carbamate
CID 101047852
(2S,3S)-3-methyl-1-phenylpent-4-en-2-ol
CID 101389726
[2-methoxy-5-(4-methoxy-5-phenylpentoxy)pentyl]benzene
CID 141293337
1,3-diphenylpropan-2-yl formate
CID 122547977
phenyl 3-methoxy-4-phenylbutanoate
CID 174617956
2-methoxyoctylbenzene
CID 102054372
2-methoxy-3-phenylpropane-1-sulfonyl chloride
CID 115046417
N-(1-phenylbut-3-en-2-yl)methanimine
CID 163597211

Frequently Asked Questions

What is the IUPAC name of [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene?
The IUPAC name of [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene (CID 101047843) is [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene.
What is the SMILES notation for [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene?
The canonical SMILES for [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene is C=C/C(Br)=C/CC(Cc1ccccc1)OC.
What is the InChIKey of [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene?
The InChIKey is DPMZURUJIFECSC-LCYFTJDESA-N. The full InChI is InChI=1S/C14H17BrO/c1-3-13(15)9-10-14(16-2)11-12-7-5-4-6-8-12/h3-9,14H,1,10-11H2,2H3/b13-9-.
What are the key properties of [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene?
[(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene has a molecular weight of 281.19 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(4Z)-5-bromo-2-methoxyhepta-4,6-dienyl]benzene is sourced from PubChem (CID 101047843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).