2-ethyl-1-(furan-3-yl)hexan-1-ol

C12H20O2 — CID 115797249

IUPAC2-ethyl-1-(furan-3-yl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1ccoc1
InChIInChI=1S/C12H20O2/c1-3-5-6-10(4-2)12(13)11-7-8-14-9-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyNSCALRCDMHOKRM-UHFFFAOYSA-N
MW196.29 g/mol
LogP3.53
Rot. Bonds6

About 2-ethyl-1-(furan-3-yl)hexan-1-ol

2-ethyl-1-(furan-3-yl)hexan-1-ol (PubChem CID 115797249) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-ethyl-1-(furan-3-yl)hexan-1-ol.

Molecular Properties

Compound Name2-ethyl-1-(furan-3-yl)hexan-1-ol
PubChem CID115797249
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name2-ethyl-1-(furan-3-yl)hexan-1-ol
SMILESCCCCC(CC)C(O)c1ccoc1
InChIInChI=1S/C12H20O2/c1-3-5-6-10(4-2)12(13)11-7-8-14-9-11/h7-10,12-13H,3-6H2,1-2H3
InChIKeyNSCALRCDMHOKRM-UHFFFAOYSA-N
XLogP3.53
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(furan-3-yl)nonadecan-1-ol
CID 10712867
1-(4-ethoxyphenyl)-2-ethylhexan-1-ol
CID 61099537
ethyl 3-(furan-3-yl)-2,3-dihydroxypropanoate
CID 171865500
(Z)-1-(furan-3-yl)hept-2-en-1-ol
CID 135006828
2-ethyl-1-thiophen-2-ylhexan-1-ol
CID 61087313
(1S)-1-(furan-3-yl)butane-1,4-diol
CID 129362358
1-(5-chlorothiophen-2-yl)-2-ethylhexan-1-ol
CID 61087799
5,7-diethylundecan-6-ol
CID 89253066
4-chloro-1-(furan-3-yl)butan-1-ol
CID 66045175
2-amino-1-(furan-3-yl)propane-1,3-diol
CID 66204732
1-(furan-3-yl)-2,2-dimethylbutan-1-ol
CID 115797313
(1R,2R)-2-(aminomethyl)-1-phenylhexan-1-ol
CID 10774706

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(furan-3-yl)hexan-1-ol?
The IUPAC name of 2-ethyl-1-(furan-3-yl)hexan-1-ol (CID 115797249) is 2-ethyl-1-(furan-3-yl)hexan-1-ol.
What is the SMILES notation for 2-ethyl-1-(furan-3-yl)hexan-1-ol?
The canonical SMILES for 2-ethyl-1-(furan-3-yl)hexan-1-ol is CCCCC(CC)C(O)c1ccoc1.
What is the InChIKey of 2-ethyl-1-(furan-3-yl)hexan-1-ol?
The InChIKey is NSCALRCDMHOKRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-3-5-6-10(4-2)12(13)11-7-8-14-9-11/h7-10,12-13H,3-6H2,1-2H3.
What are the key properties of 2-ethyl-1-(furan-3-yl)hexan-1-ol?
2-ethyl-1-(furan-3-yl)hexan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(furan-3-yl)hexan-1-ol is sourced from PubChem (CID 115797249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).