1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

C16H26O2 — CID 83171605

IUPAC1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccco2)CC1
InChIInChI=1S/C16H26O2/c1-4-15(2,3)13-7-9-16(17,10-8-13)12-14-6-5-11-18-14/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyKXRQGFUFLXRMAU-UHFFFAOYSA-N
MW250.38 g/mol
LogP4.18
Rot. Bonds4

About 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol

1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (PubChem CID 83171605) has the molecular formula C16H26O2 and a molecular weight of 250.38 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
PubChem CID83171605
Molecular FormulaC16H26O2
Molecular Weight250.38 g/mol
Exact Mass250.19
IUPAC Name1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol
SMILESCCC(C)(C)C1CCC(O)(Cc2ccco2)CC1
InChIInChI=1S/C16H26O2/c1-4-15(2,3)13-7-9-16(17,10-8-13)12-14-6-5-11-18-14/h5-6,11,13,17H,4,7-10,12H2,1-3H3
InChIKeyKXRQGFUFLXRMAU-UHFFFAOYSA-N
XLogP4.18
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
1-[(5-ethylthiophen-2-yl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147632
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
1-[(2-bromo-5-fluorophenyl)methyl]-4-(2-methylbutan-2-yl)cyclohexan-1-ol
CID 65147531
4-(furan-2-ylmethyl)-1-phenylpiperidin-4-ol
CID 106820831
4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704
4-(furan-2-ylmethyl)-2-propyloxan-4-ol
CID 83171634
2-cyclopropyl-1-(furan-2-yl)propan-2-ol
CID 83172016
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020065
N-[[1-(furan-2-ylmethyl)cyclobutyl]methyl]-2-methylpropan-2-amine
CID 65194561
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
3-ethyl-1-(furan-2-ylmethyl)cyclopentan-1-amine
CID 65422690

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol (CID 83171605) is 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is CCC(C)(C)C1CCC(O)(Cc2ccco2)CC1.
What is the InChIKey of 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
The InChIKey is KXRQGFUFLXRMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O2/c1-4-15(2,3)13-7-9-16(17,10-8-13)12-14-6-5-11-18-14/h5-6,11,13,17H,4,7-10,12H2,1-3H3.
What are the key properties of 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol?
1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol has a molecular weight of 250.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-4-(2-methylbutan-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 83171605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).