(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol

C13H19BrO2 — CID 106886249

IUPAC(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2occc2Br)CC1C
InChIInChI=1S/C13H19BrO2/c1-8-3-4-10(7-9(8)2)12(15)13-11(14)5-6-16-13/h5-6,8-10,12,15H,3-4,7H2,1-2H3
InChIKeyYPJZNVJDFWNURM-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.15
Rot. Bonds2

About (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol

(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol (PubChem CID 106886249) has the molecular formula C13H19BrO2 and a molecular weight of 287.20 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol
PubChem CID106886249
Molecular FormulaC13H19BrO2
Molecular Weight287.20 g/mol
Exact Mass286.06
IUPAC Name(3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol
SMILESCC1CCC(C(O)c2occc2Br)CC1C
InChIInChI=1S/C13H19BrO2/c1-8-3-4-10(7-9(8)2)12(15)13-11(14)5-6-16-13/h5-6,8-10,12,15H,3-4,7H2,1-2H3
InChIKeyYPJZNVJDFWNURM-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-bromofuran-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115800584
(3,4-dimethylcyclohexyl)-phenylmethanol
CID 64740008
(3-bromofuran-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanol
CID 106886310
(3-bromofuran-2-yl)-(4-methylcyclohexyl)methanamine
CID 63942648
(4-bromo-2-methoxyphenyl)-(3,4-dimethylcyclohexyl)methanol
CID 115806067
[1-(3-bromofuran-2-yl)-2-cyclopropylpropyl]hydrazine
CID 105309088
(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methanol
CID 64739414
(3,4-dimethylcyclohexyl)-(2-iodophenyl)methanol
CID 115806226
1,3-benzodioxol-5-yl-(3,4-dimethylcyclohexyl)methanol
CID 64738404
1-(3-bromofuran-2-yl)-2-(oxan-4-yl)ethanol
CID 106886280
(5-chlorothiophen-2-yl)-(3,4-dimethylcyclohexyl)methanol
CID 64738002
(3,4-dimethylcyclohexyl)-(3-methylphenyl)methanol
CID 64739613

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The IUPAC name of (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol (CID 106886249) is (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol.
What is the SMILES notation for (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The canonical SMILES for (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol is CC1CCC(C(O)c2occc2Br)CC1C.
What is the InChIKey of (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol?
The InChIKey is YPJZNVJDFWNURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO2/c1-8-3-4-10(7-9(8)2)12(15)13-11(14)5-6-16-13/h5-6,8-10,12,15H,3-4,7H2,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol?
(3-bromofuran-2-yl)-(3,4-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 (3-bromofuran-2-yl)-(3,4-dimethylcyclohexyl)methanol is sourced from PubChem (CID 106886249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).