2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene

C15H17BrO2 — CID 10267307

IUPAC2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
SMILESC=Cc1ccc(OC)c(OC2C=CCCC2)c1Br
InChIInChI=1S/C15H17BrO2/c1-3-11-9-10-13(17-2)15(14(11)16)18-12-7-5-4-6-8-12/h3,5,7,9-10,12H,1,4,6,8H2,2H3
InChIKeyFQOKTKUILNEOOO-UHFFFAOYSA-N
MW309.20 g/mol
LogP4.59
Rot. Bonds4

About 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene

2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene (PubChem CID 10267307) has the molecular formula C15H17BrO2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
PubChem CID10267307
Molecular FormulaC15H17BrO2
Molecular Weight309.20 g/mol
Exact Mass308.04
IUPAC Name2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene
SMILESC=Cc1ccc(OC)c(OC2C=CCCC2)c1Br
InChIInChI=1S/C15H17BrO2/c1-3-11-9-10-13(17-2)15(14(11)16)18-12-7-5-4-6-8-12/h3,5,7,9-10,12H,1,4,6,8H2,2H3
InChIKeyFQOKTKUILNEOOO-UHFFFAOYSA-N
XLogP4.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl N-[(Z)-2-(2-bromo-3-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethenyl]carbamate
CID 10453332
2-bromo-3-(cyclobutylmethoxy)-1-ethenyl-4-methoxybenzene
CID 176513489
1-cyclohex-2-en-1-yloxy-2-ethenylbenzene
CID 15274159
(3-bromo-4-cyclohex-2-en-1-yloxy-5-methoxyphenyl)methanol
CID 114620145
1-cyclohex-2-en-1-yloxy-4-ethenylbenzene
CID 56975976
(1Z)-3-(2-ethenylphenoxy)cyclooctene
CID 10922278
3-(2-ethenyl-4-fluorophenoxy)cycloheptene
CID 15274154
1-(4-cyclohex-2-en-1-yloxy-3-methoxyphenyl)ethanol
CID 114620138
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
CID 107284123
4-cyclohex-2-en-1-yloxybenzaldehyde
CID 19069252
4-cyclopent-2-en-1-yloxy-3-methoxybenzaldehyde
CID 105472168
1-cyclohex-2-en-1-yloxy-4-[(2Z,4Z)-4-(4-cyclohex-2-en-1-yloxyphenyl)hexa-2,4-dien-3-yl]benzene
CID 5357270

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene?
The IUPAC name of 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene (CID 10267307) is 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene.
What is the SMILES notation for 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene?
The canonical SMILES for 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene is C=Cc1ccc(OC)c(OC2C=CCCC2)c1Br.
What is the InChIKey of 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene?
The InChIKey is FQOKTKUILNEOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrO2/c1-3-11-9-10-13(17-2)15(14(11)16)18-12-7-5-4-6-8-12/h3,5,7,9-10,12H,1,4,6,8H2,2H3.
What are the key properties of 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene?
2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene has a molecular weight of 309.20 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-cyclohex-2-en-1-yloxy-1-ethenyl-4-methoxybenzene is sourced from PubChem (CID 10267307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).