(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol

C13H19BrO2 — CID 106859285

IUPAC(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2ccoc2Br)C1
InChIInChI=1S/C13H19BrO2/c1-8-5-9(2)7-10(6-8)12(15)11-3-4-16-13(11)14/h3-4,8-10,12,15H,5-7H2,1-2H3
InChIKeyBQIQEENXDVGANW-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.15
Rot. Bonds2

About (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol

(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol (PubChem CID 106859285) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
PubChem CID106859285
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol
SMILESCC1CC(C)CC(C(O)c2ccoc2Br)C1
InChIInChI=1S/C13H19BrO2/c1-8-5-9(2)7-10(6-8)12(15)11-3-4-16-13(11)14/h3-4,8-10,12,15H,5-7H2,1-2H3
InChIKeyBQIQEENXDVGANW-UHFFFAOYSA-N
XLogP4.15
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dimethylcyclohexyl)-phenylmethanol
CID 64730076
(2-bromofuran-3-yl)-(2,6-dioxaspiro[4.5]decan-9-yl)methanol
CID 106859419
1-(2-bromofuran-3-yl)-2-methylpropan-1-ol
CID 106859599
1-(2-bromofuran-3-yl)-2-methoxyethanol
CID 106859379
(3,5-dimethylcyclohexyl)-(2,5-dimethylthiophen-3-yl)methanol
CID 64729274
(3,5-dimethylcyclohexyl)-(2-methylfuran-3-yl)methanamine
CID 104789698
(3,5-dimethylcyclohexyl)-isoquinolin-4-ylmethanol
CID 104504589
1-(3,5-dimethylcyclohexyl)-N-methyl-1-(2-methylfuran-3-yl)methanamine
CID 104789923
1-(2-bromofuran-3-yl)-2-(oxan-4-yl)ethanol
CID 106859167
2-(2-bromofuran-3-yl)-2-cyclopropylacetic acid
CID 82664923
(4-bromo-2,6-difluorophenyl)-(3,5-dimethylcyclohexyl)methanol
CID 115805778
(2-bromofuran-3-yl)-(2,3,4,5,6-pentamethylphenyl)methanol
CID 106855316

Frequently Asked Questions

What is the IUPAC name of (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol?
The IUPAC name of (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol (CID 106859285) is (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol.
What is the SMILES notation for (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol?
The canonical SMILES for (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol is CC1CC(C)CC(C(O)c2ccoc2Br)C1.
What is the InChIKey of (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol?
The InChIKey is BQIQEENXDVGANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-8-5-9(2)7-10(6-8)12(15)11-3-4-16-13(11)14/h3-4,8-10,12,15H,5-7H2,1-2H3.
What are the key properties of (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol?
(2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol has a molecular weight of 287.20 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromofuran-3-yl)-(3,5-dimethylcyclohexyl)methanol is sourced from PubChem (CID 106859285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).