4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol

C15H24O2 — CID 83183283

IUPAC4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccoc2)C1
InChIInChI=1S/C15H24O2/c1-15(2,3)13-4-5-14(16)12(9-13)8-11-6-7-17-10-11/h6-7,10,12-14,16H,4-5,8-9H2,1-3H3
InChIKeyVXWKCHXWQSKZKC-UHFFFAOYSA-N
MW236.35 g/mol
LogP3.65
Rot. Bonds2

About 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol

4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol (PubChem CID 83183283) has the molecular formula C15H24O2 and a molecular weight of 236.35 g/mol. Its IUPAC name is 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
PubChem CID83183283
Molecular FormulaC15H24O2
Molecular Weight236.35 g/mol
Exact Mass236.18
IUPAC Name4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol
SMILESCC(C)(C)C1CCC(O)C(Cc2ccoc2)C1
InChIInChI=1S/C15H24O2/c1-15(2,3)13-4-5-14(16)12(9-13)8-11-6-7-17-10-11/h6-7,10,12-14,16H,4-5,8-9H2,1-3H3
InChIKeyVXWKCHXWQSKZKC-UHFFFAOYSA-N
XLogP3.65
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Marrubiin
CID 73401
Marrubin
CID 235392
Hispanolone
CID 5458747
(-)-Hardwickiic acid
CID 15559629
5-[2-(Furan-3-YL)ethyl]-8-hydroxy-5,6,8A-trimethyl-3,4,4A,6,7,8-hexahydronaphthalene-1-carboxylic acid
CID 45359865
Solidagenone
CID 189066
2-Methyl-5-(fur-3-yl)-pent-1-en-3-ol
CID 557594
(+)-Hardwickiic Acid
CID 15559627
(5alpha,8alpha,9R,10beta)-15,16-Epoxycleroda-3,13(16),14-trien-17-oic acid
CID 14262571
(1R,2R,4aR,8aS)-1-[2-(furan-3-yl)ethyl]-2,4a,5-trimethyl-2,3,4,7,8,8a-hexahydronaphthalene-1-carboxylic acid
CID 23872147
1(4H)-Naphthalenone, 4-[2-(3-furanyl)ethyl]-4a,5,6,7,8,8a-hexahydro-4-hydroxy-3,4a,8,8-tetramethyl-
CID 298767
Hispanone
CID 10402561

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol?
The IUPAC name of 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol (CID 83183283) is 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol is CC(C)(C)C1CCC(O)C(Cc2ccoc2)C1.
What is the InChIKey of 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol?
The InChIKey is VXWKCHXWQSKZKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O2/c1-15(2,3)13-4-5-14(16)12(9-13)8-11-6-7-17-10-11/h6-7,10,12-14,16H,4-5,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol?
4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol has a molecular weight of 236.35 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(furan-3-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 83183283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).