2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan

C12H16BrClO — CID 130690129

IUPAC2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan
SMILESCC1CCC(Cl)C(Cc2coc(Br)c2)C1
InChIInChI=1S/C12H16BrClO/c1-8-2-3-11(14)10(4-8)5-9-6-12(13)15-7-9/h6-8,10-11H,2-5H2,1H3
InChIKeyNKEFJPYAALHYBD-UHFFFAOYSA-N
MW291.62 g/mol
LogP4.63
Rot. Bonds2

About 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan

2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan (PubChem CID 130690129) has the molecular formula C12H16BrClO and a molecular weight of 291.62 g/mol. Its IUPAC name is 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan.

Molecular Properties

Compound Name2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan
PubChem CID130690129
Molecular FormulaC12H16BrClO
Molecular Weight291.62 g/mol
Exact Mass290.01
IUPAC Name2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan
SMILESCC1CCC(Cl)C(Cc2coc(Br)c2)C1
InChIInChI=1S/C12H16BrClO/c1-8-2-3-11(14)10(4-8)5-9-6-12(13)15-7-9/h6-8,10-11H,2-5H2,1H3
InChIKeyNKEFJPYAALHYBD-UHFFFAOYSA-N
XLogP4.63
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[(2-chloro-5-methylcyclohexyl)methyl]thiophene
CID 63461149
1-tert-butyl-4-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63460957
2-[(5-bromofuran-3-yl)methyl]cyclopentane-1-carboxylic acid
CID 130877489
2,4-dichloro-1-[(2-chloro-5-methylcyclohexyl)methyl]benzene
CID 63461138
N-[(5-bromofuran-3-yl)methyl]-3-methylcyclobutan-1-amine
CID 131042732
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
3-[(5-bromofuran-3-yl)methyl]oxan-4-one
CID 130718317
2-(furan-3-ylmethyl)-4-methylcyclohexan-1-amine
CID 83172878
1-bromo-3-[(2-chloro-5-ethylcyclohexyl)methyl]-5-fluorobenzene
CID 79709081
1-bromo-3-[(5-tert-butyl-2-chlorocyclohexyl)methyl]benzene
CID 63459699
1-[(2-chloro-5-propylcyclohexyl)methyl]-4-iodobenzene
CID 65476334

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan?
The IUPAC name of 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan (CID 130690129) is 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan.
What is the SMILES notation for 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan?
The canonical SMILES for 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan is CC1CCC(Cl)C(Cc2coc(Br)c2)C1.
What is the InChIKey of 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan?
The InChIKey is NKEFJPYAALHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClO/c1-8-2-3-11(14)10(4-8)5-9-6-12(13)15-7-9/h6-8,10-11H,2-5H2,1H3.
What are the key properties of 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan?
2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan has a molecular weight of 291.62 g/mol, XLogP of 4.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(2-chloro-5-methylcyclohexyl)methyl]furan is sourced from PubChem (CID 130690129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).