5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene

C15H19BrO2 — CID 155332959

IUPAC5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene
SMILESCOc1cc(Br)cc(OC)c1C1C=C(C)CCC1
InChIInChI=1S/C15H19BrO2/c1-10-5-4-6-11(7-10)15-13(17-2)8-12(16)9-14(15)18-3/h7-9,11H,4-6H2,1-3H3
InChIKeyYVKUMISLHULZET-UHFFFAOYSA-N
MW311.22 g/mol
LogP4.68
Rot. Bonds3

About 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene

5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene (PubChem CID 155332959) has the molecular formula C15H19BrO2 and a molecular weight of 311.22 g/mol. Its IUPAC name is 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene.

Molecular Properties

Compound Name5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene
PubChem CID155332959
Molecular FormulaC15H19BrO2
Molecular Weight311.22 g/mol
Exact Mass310.06
IUPAC Name5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene
SMILESCOc1cc(Br)cc(OC)c1C1C=C(C)CCC1
InChIInChI=1S/C15H19BrO2/c1-10-5-4-6-11(7-10)15-13(17-2)8-12(16)9-14(15)18-3/h7-9,11H,4-6H2,1-3H3
InChIKeyYVKUMISLHULZET-UHFFFAOYSA-N
XLogP4.68
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.22
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene?
The IUPAC name of 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene (CID 155332959) is 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene.
What is the SMILES notation for 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene?
The canonical SMILES for 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene is COc1cc(Br)cc(OC)c1C1C=C(C)CCC1.
What is the InChIKey of 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene?
The InChIKey is YVKUMISLHULZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrO2/c1-10-5-4-6-11(7-10)15-13(17-2)8-12(16)9-14(15)18-3/h7-9,11H,4-6H2,1-3H3.
What are the key properties of 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene?
5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene has a molecular weight of 311.22 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,3-dimethoxy-2-(3-methylcyclohex-2-en-1-yl)benzene is sourced from PubChem (CID 155332959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).