4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene

C13H15BrO — CID 107284123

IUPAC4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
SMILESCc1ccc(Br)cc1OC1C=CCCC1
InChIInChI=1S/C13H15BrO/c1-10-7-8-11(14)9-13(10)15-12-5-3-2-4-6-12/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyRFGGCAATLOWKRY-UHFFFAOYSA-N
MW267.17 g/mol
LogP4.25
Rot. Bonds2

About 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene

4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene (PubChem CID 107284123) has the molecular formula C13H15BrO and a molecular weight of 267.17 g/mol. Its IUPAC name is 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene.

Molecular Properties

Compound Name4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
PubChem CID107284123
Molecular FormulaC13H15BrO
Molecular Weight267.17 g/mol
Exact Mass266.03
IUPAC Name4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene
SMILESCc1ccc(Br)cc1OC1C=CCCC1
InChIInChI=1S/C13H15BrO/c1-10-7-8-11(14)9-13(10)15-12-5-3-2-4-6-12/h3,5,7-9,12H,2,4,6H2,1H3
InChIKeyRFGGCAATLOWKRY-UHFFFAOYSA-N
XLogP4.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.17
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-methyl-2-(4-methylcyclohexyl)oxybenzene
CID 107283955
4-(5-bromo-2-methylphenoxy)azepane
CID 107286395
1-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)butan-2-amine
CID 114620662
(E)-3-(5-bromo-2-cyclohex-2-en-1-yloxyphenyl)prop-2-enoic acid
CID 114620185
2-(5-bromo-2-cyclohex-2-en-1-yloxy-3-methylphenyl)ethanamine
CID 114620717
4-bromo-2-(3-bromocyclobutyl)oxy-1-methylbenzene
CID 107287256
1-cyclohex-2-en-1-yloxy-3-methylbenzene
CID 91516514
(1R)-1-(2-cyclohex-2-en-1-yloxy-4-methoxyphenyl)ethanamine
CID 104940189
1-bromo-3-cyclohex-2-en-1-yloxy-5-fluorobenzene
CID 114620042
(3S)-3-(5-bromo-2-methylphenoxy)pyrrolidine
CID 107284590
1-bromo-4-cyclohex-2-en-1-yloxy-2-fluorobenzene
CID 114620041
3-(5-bromo-2-methylphenoxy)azepan-2-one
CID 107284075

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene?
The IUPAC name of 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene (CID 107284123) is 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene.
What is the SMILES notation for 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene?
The canonical SMILES for 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene is Cc1ccc(Br)cc1OC1C=CCCC1.
What is the InChIKey of 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene?
The InChIKey is RFGGCAATLOWKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrO/c1-10-7-8-11(14)9-13(10)15-12-5-3-2-4-6-12/h3,5,7-9,12H,2,4,6H2,1H3.
What are the key properties of 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene?
4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene has a molecular weight of 267.17 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-cyclohex-2-en-1-yloxy-1-methylbenzene is sourced from PubChem (CID 107284123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).