2-(3-methylfuran-2-yl)hexan-1-ol

C11H18O2 — CID 140985525

IUPAC2-(3-methylfuran-2-yl)hexan-1-ol
SMILESCCCCC(CO)c1occc1C
InChIInChI=1S/C11H18O2/c1-3-4-5-10(8-12)11-9(2)6-7-13-11/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyXWXDZTDKLMCJQZ-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.85
Rot. Bonds5

About 2-(3-methylfuran-2-yl)hexan-1-ol

2-(3-methylfuran-2-yl)hexan-1-ol (PubChem CID 140985525) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-(3-methylfuran-2-yl)hexan-1-ol.

Molecular Properties

Compound Name2-(3-methylfuran-2-yl)hexan-1-ol
PubChem CID140985525
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-(3-methylfuran-2-yl)hexan-1-ol
SMILESCCCCC(CO)c1occc1C
InChIInChI=1S/C11H18O2/c1-3-4-5-10(8-12)11-9(2)6-7-13-11/h6-7,10,12H,3-5,8H2,1-2H3
InChIKeyXWXDZTDKLMCJQZ-UHFFFAOYSA-N
XLogP2.85
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-methylfuran-2-yl)nonan-1-ol
CID 104800699
3-ethyl-N-methyl-1-(3-methylfuran-2-yl)heptan-1-amine
CID 113455219
N-ethyl-1-(3-methylfuran-2-yl)octan-1-amine
CID 104805256
1-(3-methylfuran-2-yl)tridecylhydrazine
CID 105269333
N-ethyl-1-(3-methylfuran-2-yl)decan-1-amine
CID 104805306
[3-ethyl-1-(3-methylfuran-2-yl)heptyl]hydrazine
CID 105269334
2-[(1R)-1-hydroxypentyl]furan-3-carbaldehyde
CID 24851106
3-ethyl-2-octan-3-ylfuran
CID 174501717
4-amino-3-(3-methylfuran-2-yl)butanoic acid
CID 82601627
4,4-dimethyl-1-(3-methylfuran-2-yl)pentan-1-ol
CID 104800841
2-(difluoromethyl)-3-methylfuran
CID 99986071
2-(4-chlorophenyl)undecan-1-ol
CID 79437648

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylfuran-2-yl)hexan-1-ol?
The IUPAC name of 2-(3-methylfuran-2-yl)hexan-1-ol (CID 140985525) is 2-(3-methylfuran-2-yl)hexan-1-ol.
What is the SMILES notation for 2-(3-methylfuran-2-yl)hexan-1-ol?
The canonical SMILES for 2-(3-methylfuran-2-yl)hexan-1-ol is CCCCC(CO)c1occc1C.
What is the InChIKey of 2-(3-methylfuran-2-yl)hexan-1-ol?
The InChIKey is XWXDZTDKLMCJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-4-5-10(8-12)11-9(2)6-7-13-11/h6-7,10,12H,3-5,8H2,1-2H3.
What are the key properties of 2-(3-methylfuran-2-yl)hexan-1-ol?
2-(3-methylfuran-2-yl)hexan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylfuran-2-yl)hexan-1-ol is sourced from PubChem (CID 140985525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).