1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol

C11H17ClO2 — CID 106693965

IUPAC1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccoc1Cl
InChIInChI=1S/C11H17ClO2/c1-8(2)4-3-5-10(13)9-6-7-14-11(9)12/h6-8,10,13H,3-5H2,1-2H3
InChIKeyYOOHPKHBELLQPU-UHFFFAOYSA-N
MW216.71 g/mol
LogP3.79
Rot. Bonds5

About 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol

1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol (PubChem CID 106693965) has the molecular formula C11H17ClO2 and a molecular weight of 216.71 g/mol. Its IUPAC name is 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol.

Molecular Properties

Compound Name1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
PubChem CID106693965
Molecular FormulaC11H17ClO2
Molecular Weight216.71 g/mol
Exact Mass216.09
IUPAC Name1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol
SMILESCC(C)CCCC(O)c1ccoc1Cl
InChIInChI=1S/C11H17ClO2/c1-8(2)4-3-5-10(13)9-6-7-14-11(9)12/h6-8,10,13H,3-5H2,1-2H3
InChIKeyYOOHPKHBELLQPU-UHFFFAOYSA-N
XLogP3.79
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.71
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methyl-1-(2-methylfuran-3-yl)hexan-1-ol
CID 104789560
1-(2-chlorofuran-3-yl)hex-5-yn-1-ol
CID 106693985
4-methyl-1-(2-methylfuran-3-yl)pentan-1-ol
CID 104789423
1-(2-chlorofuran-3-yl)-2-methylbutan-1-ol
CID 106693915
1-(2-chlorofuran-3-yl)-3-methylidenepentan-1-ol
CID 106693858
1-(4-chlorophenyl)-5-methylhexan-1-ol
CID 83158277
1-(2-bromo-5-chlorophenyl)-5-methylhexan-1-ol
CID 83158968
1-(2-chlorofuran-3-yl)-3-thiophen-3-ylpropan-1-ol
CID 106693735
1-(2-iodophenyl)-5-methylhexan-1-ol
CID 115829982
5-methyl-1-(2,3,4-trifluorophenyl)hexan-1-ol
CID 115829925
5-methyl-1-phenylhexan-1-ol
CID 10997859
1-(2-tert-butylphenyl)-5-methylhexan-1-ol
CID 115829952

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol?
The IUPAC name of 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol (CID 106693965) is 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol.
What is the SMILES notation for 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol?
The canonical SMILES for 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol is CC(C)CCCC(O)c1ccoc1Cl.
What is the InChIKey of 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol?
The InChIKey is YOOHPKHBELLQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClO2/c1-8(2)4-3-5-10(13)9-6-7-14-11(9)12/h6-8,10,13H,3-5H2,1-2H3.
What are the key properties of 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol?
1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol has a molecular weight of 216.71 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorofuran-3-yl)-5-methylhexan-1-ol is sourced from PubChem (CID 106693965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).