2-ethyl-2-(furan-3-ylmethyl)butan-1-ol

C11H18O2 — CID 83183121

IUPAC2-ethyl-2-(furan-3-ylmethyl)butan-1-ol
SMILESCCC(CC)(CO)Cc1ccoc1
InChIInChI=1S/C11H18O2/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyYQCHVDWDYIFALS-UHFFFAOYSA-N
MW182.26 g/mol
LogP2.62
Rot. Bonds5

About 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol

2-ethyl-2-(furan-3-ylmethyl)butan-1-ol (PubChem CID 83183121) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol.

Molecular Properties

Compound Name2-ethyl-2-(furan-3-ylmethyl)butan-1-ol
PubChem CID83183121
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-ethyl-2-(furan-3-ylmethyl)butan-1-ol
SMILESCCC(CC)(CO)Cc1ccoc1
InChIInChI=1S/C11H18O2/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8,12H,3-4,7,9H2,1-2H3
InChIKeyYQCHVDWDYIFALS-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-3-ylmethyl)-2-phenylbutan-1-ol
CID 83183122
3-ethylfuran;methanol
CID 174626479
2-benzyl-2-ethylpropane-1,3-diol
CID 19862076
2-(furan-3-ylmethyl)-2-phenylpropane-1,3-diol
CID 83183437
3-[2-benzyl-3-chloro-2-(chloromethyl)propyl]furan
CID 83183133
1-(furan-3-yl)butan-2-ol
CID 83171486
3-(furan-3-yl)-2,2-dimethylpropanenitrile
CID 83182126
2-ethyl-2-[(3-fluorophenyl)methyl]butan-1-ol
CID 66060199
3-(furan-3-ylmethylamino)-3-methylpentan-1-ol
CID 115699077
2-[(5-bromo-3-pyridinyl)methyl]-2-ethylbutan-1-ol
CID 104813142
2-[(3,4-dimethylphenyl)methyl]-2-ethylpropane-1,3-diol
CID 79450388
2-(furan-3-ylmethyl)pentanoic acid
CID 12573303

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol?
The IUPAC name of 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol (CID 83183121) is 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol.
What is the SMILES notation for 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol?
The canonical SMILES for 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol is CCC(CC)(CO)Cc1ccoc1.
What is the InChIKey of 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol?
The InChIKey is YQCHVDWDYIFALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-3-11(4-2,9-12)7-10-5-6-13-8-10/h5-6,8,12H,3-4,7,9H2,1-2H3.
What are the key properties of 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol?
2-ethyl-2-(furan-3-ylmethyl)butan-1-ol has a molecular weight of 182.26 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(furan-3-ylmethyl)butan-1-ol is sourced from PubChem (CID 83183121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).