furan;1-(furan-2-yl)-3-methylbutan-1-ol

C13H18O3 — CID 23208167

IUPACfuran;1-(furan-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccco1.c1ccoc1
InChIInChI=1S/C9H14O2.C4H4O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-4-5-3-1/h3-5,7-8,10H,6H2,1-2H3;1-4H
InChIKeyWEBBKJSGEYNTDE-UHFFFAOYSA-N
MW222.28 g/mol
LogP3.64
Rot. Bonds3

About furan;1-(furan-2-yl)-3-methylbutan-1-ol

furan;1-(furan-2-yl)-3-methylbutan-1-ol (PubChem CID 23208167) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is furan;1-(furan-2-yl)-3-methylbutan-1-ol.

Molecular Properties

Compound Namefuran;1-(furan-2-yl)-3-methylbutan-1-ol
PubChem CID23208167
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Namefuran;1-(furan-2-yl)-3-methylbutan-1-ol
SMILESCC(C)CC(O)c1ccco1.c1ccoc1
InChIInChI=1S/C9H14O2.C4H4O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-4-5-3-1/h3-5,7-8,10H,6H2,1-2H3;1-4H
InChIKeyWEBBKJSGEYNTDE-UHFFFAOYSA-N
XLogP3.64
TPSA46.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,3S)-1-(furan-2-yl)butane-1,3-diol
CID 46177371
(1S,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975773
(1R,3R)-3-amino-1-(furan-2-yl)butan-1-ol
CID 95975775
1-(furan-2-yl)pentane-1,3,4-triol
CID 175602784
2-[[2-(furan-2-yl)-2-hydroxyethyl]amino]-4-methylpentan-1-ol
CID 61246872
acetylene;(1S)-1-(furan-2-yl)propan-1-ol
CID 143788269
1-(furan-2-yl)-3-methylbutan-1-amine;hydrochloride
CID 86263007
1-(furan-2-yl)-3-methylbut-3-en-1-ol
CID 11457787
3-amino-1-(furan-2-yl)-5-methoxypentan-1-ol
CID 103967416
3-chloro-1-(furan-2-yl)propan-1-ol
CID 77242319
(1R)-3-chloro-1-(furan-2-yl)propan-1-ol
CID 67216727
1-(furan-2-yl)decan-1-ol
CID 11085452

Frequently Asked Questions

What is the IUPAC name of furan;1-(furan-2-yl)-3-methylbutan-1-ol?
The IUPAC name of furan;1-(furan-2-yl)-3-methylbutan-1-ol (CID 23208167) is furan;1-(furan-2-yl)-3-methylbutan-1-ol.
What is the SMILES notation for furan;1-(furan-2-yl)-3-methylbutan-1-ol?
The canonical SMILES for furan;1-(furan-2-yl)-3-methylbutan-1-ol is CC(C)CC(O)c1ccco1.c1ccoc1.
What is the InChIKey of furan;1-(furan-2-yl)-3-methylbutan-1-ol?
The InChIKey is WEBBKJSGEYNTDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2.C4H4O/c1-7(2)6-8(10)9-4-3-5-11-9;1-2-4-5-3-1/h3-5,7-8,10H,6H2,1-2H3;1-4H.
What are the key properties of furan;1-(furan-2-yl)-3-methylbutan-1-ol?
furan;1-(furan-2-yl)-3-methylbutan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan;1-(furan-2-yl)-3-methylbutan-1-ol is sourced from PubChem (CID 23208167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).