3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol

C11H15BrO2 — CID 130835243

IUPAC3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H15BrO2/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-5,8-9,13H,1-3,6-7H2
InChIKeyHIFPPNXGAWNBTC-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.14
Rot. Bonds2

About 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol

3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol (PubChem CID 130835243) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
PubChem CID130835243
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
SMILESOC1CCCC(Cc2ccc(Br)o2)C1
InChIInChI=1S/C11H15BrO2/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-5,8-9,13H,1-3,6-7H2
InChIKeyHIFPPNXGAWNBTC-UHFFFAOYSA-N
XLogP3.14
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-one
CID 130643814
3-[(3-bromo-2,6-difluorophenyl)methyl]cyclohexan-1-ol
CID 106273079
3-[[(5-methylfuran-2-yl)methylamino]methyl]cyclohexan-1-ol
CID 115654567
3-[(4-methylphenyl)methyl]cyclohexan-1-ol
CID 64515561
3-[(3-bromophenyl)methyl]cycloheptan-1-ol
CID 64515099
3-[2-(5-bromofuran-2-yl)ethyl]piperidine
CID 83488604
3-[(5-bromofuran-2-yl)methoxy]cyclohexan-1-amine
CID 79465805
N-[(5-bromofuran-2-yl)methyl]-2-cyclopentylethanamine
CID 60732893
3-[(4-fluorophenyl)methyl]cycloheptan-1-ol
CID 64514392
3-[(4-iodophenyl)methyl]cycloheptan-1-ol
CID 65490170
8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
CID 130847374

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol (CID 130835243) is 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol is OC1CCCC(Cc2ccc(Br)o2)C1.
What is the InChIKey of 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol?
The InChIKey is HIFPPNXGAWNBTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c12-11-5-4-10(14-11)7-8-2-1-3-9(13)6-8/h4-5,8-9,13H,1-3,6-7H2.
What are the key properties of 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol?
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol has a molecular weight of 259.14 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol is sourced from PubChem (CID 130835243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).