2-bromo-3-(4-methylcyclohexyl)furan

C11H15BrO — CID 82386640

IUPAC2-bromo-3-(4-methylcyclohexyl)furan
SMILESCC1CCC(c2ccoc2Br)CC1
InChIInChI=1S/C11H15BrO/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12/h6-9H,2-5H2,1H3
InChIKeySULNUTDRXVNPBU-UHFFFAOYSA-N
MW243.14 g/mol
LogP4.34
Rot. Bonds1

About 2-bromo-3-(4-methylcyclohexyl)furan

2-bromo-3-(4-methylcyclohexyl)furan (PubChem CID 82386640) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-bromo-3-(4-methylcyclohexyl)furan.

Molecular Properties

Compound Name2-bromo-3-(4-methylcyclohexyl)furan
PubChem CID82386640
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name2-bromo-3-(4-methylcyclohexyl)furan
SMILESCC1CCC(c2ccoc2Br)CC1
InChIInChI=1S/C11H15BrO/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12/h6-9H,2-5H2,1H3
InChIKeySULNUTDRXVNPBU-UHFFFAOYSA-N
XLogP4.34
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-(4-methylcyclohexyl)furan?
The IUPAC name of 2-bromo-3-(4-methylcyclohexyl)furan (CID 82386640) is 2-bromo-3-(4-methylcyclohexyl)furan.
What is the SMILES notation for 2-bromo-3-(4-methylcyclohexyl)furan?
The canonical SMILES for 2-bromo-3-(4-methylcyclohexyl)furan is CC1CCC(c2ccoc2Br)CC1.
What is the InChIKey of 2-bromo-3-(4-methylcyclohexyl)furan?
The InChIKey is SULNUTDRXVNPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12/h6-9H,2-5H2,1H3.
What are the key properties of 2-bromo-3-(4-methylcyclohexyl)furan?
2-bromo-3-(4-methylcyclohexyl)furan has a molecular weight of 243.14 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-(4-methylcyclohexyl)furan is sourced from PubChem (CID 82386640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).