(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol

C13H20O2 — CID 107192265

IUPAC(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
SMILESCC1(C)CCCCC1C(O)c1ccco1
InChIInChI=1S/C13H20O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyOYJDQAVTSXLDKL-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.53
Rot. Bonds2

About (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol

(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol (PubChem CID 107192265) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol.

Molecular Properties

Compound Name(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
PubChem CID107192265
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol
SMILESCC1(C)CCCCC1C(O)c1ccco1
InChIInChI=1S/C13H20O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3
InChIKeyOYJDQAVTSXLDKL-UHFFFAOYSA-N
XLogP3.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2,2-dimethylcyclohexyl)-(furan-2-yl)methyl]hydrazine
CID 107193914
furan-2-yl-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115797501
(2,2-dimethylcyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanol
CID 107192972
(2,2-dimethylcyclohexyl)-(2-methoxyphenyl)methanol
CID 107191971
(2,2-dimethylcyclohexyl)-naphthalen-2-ylmethanol
CID 107192209
(S)-cyclopropyl(furan-2-yl)methanol
CID 39235067
(2,2-dimethylcyclohexyl)-(2-ethoxyphenyl)methanol
CID 107192228
(2-ethylcyclohexyl)-(furan-2-yl)methanol
CID 63861285
(1R,2R,3R,4R)-3-[furan-2-yl(hydroxy)methyl]-1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol
CID 100951242
2-(2,6-dichlorophenyl)-1-(2,2-dimethylcyclohexyl)ethanol
CID 107192076
furan-2-yl(5-oxaspiro[3.5]nonan-8-yl)methanol
CID 79899469
(4-cyclopropyloxyphenyl)-(2,2-dimethylcyclohexyl)methanol
CID 107193010

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol?
The IUPAC name of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol (CID 107192265) is (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol.
What is the SMILES notation for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol?
The canonical SMILES for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol is CC1(C)CCCCC1C(O)c1ccco1.
What is the InChIKey of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol?
The InChIKey is OYJDQAVTSXLDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-13(2)8-4-3-6-10(13)12(14)11-7-5-9-15-11/h5,7,9-10,12,14H,3-4,6,8H2,1-2H3.
What are the key properties of (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol?
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanol has a molecular weight of 208.30 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclohexyl)-(furan-2-yl)methanol is sourced from PubChem (CID 107192265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).