2-(furan-3-yl)-3-methylbut-3-en-2-ol

C9H12O2 — CID 115467221

IUPAC2-(furan-3-yl)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)c1ccoc1
InChIInChI=1S/C9H12O2/c1-7(2)9(3,10)8-4-5-11-6-8/h4-6,10H,1H2,2-3H3
InChIKeyRYKBKXUAEDLZEX-UHFFFAOYSA-N
MW152.19 g/mol
LogP2.06
Rot. Bonds2

About 2-(furan-3-yl)-3-methylbut-3-en-2-ol

2-(furan-3-yl)-3-methylbut-3-en-2-ol (PubChem CID 115467221) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 2-(furan-3-yl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name2-(furan-3-yl)-3-methylbut-3-en-2-ol
PubChem CID115467221
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name2-(furan-3-yl)-3-methylbut-3-en-2-ol
SMILESC=C(C)C(C)(O)c1ccoc1
InChIInChI=1S/C9H12O2/c1-7(2)9(3,10)8-4-5-11-6-8/h4-6,10H,1H2,2-3H3
InChIKeyRYKBKXUAEDLZEX-UHFFFAOYSA-N
XLogP2.06
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methyl-2-phenylbut-3-en-2-ol
CID 102163421
2-(furan-3-yl)butan-2-ol
CID 63948542
4-(2-hydroxy-3-methylbut-3-en-2-yl)benzonitrile
CID 115481601
1-(2-bromophenyl)-2-(furan-3-yl)propan-2-ol
CID 115467175
1-(3,5-dimethoxyphenyl)-1-(furan-3-yl)ethanol
CID 113315417
1-(2,5-dimethylphenyl)-1-(furan-3-yl)ethanol
CID 63950172
2-(furan-3-yl)-5-methoxy-5-methylhexan-2-ol
CID 103035230
1-(furan-3-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 115467245
1-(furan-3-yl)-1-thiophen-2-ylethanol
CID 63947725
1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
CID 115467343
2-(furan-3-yl)-1-pyridin-2-ylpropan-2-ol
CID 115467149
2-(furan-3-yl)propan-2-yl prop-2-enoate
CID 58734432

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-3-methylbut-3-en-2-ol?
The IUPAC name of 2-(furan-3-yl)-3-methylbut-3-en-2-ol (CID 115467221) is 2-(furan-3-yl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for 2-(furan-3-yl)-3-methylbut-3-en-2-ol?
The canonical SMILES for 2-(furan-3-yl)-3-methylbut-3-en-2-ol is C=C(C)C(C)(O)c1ccoc1.
What is the InChIKey of 2-(furan-3-yl)-3-methylbut-3-en-2-ol?
The InChIKey is RYKBKXUAEDLZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(2)9(3,10)8-4-5-11-6-8/h4-6,10H,1H2,2-3H3.
What are the key properties of 2-(furan-3-yl)-3-methylbut-3-en-2-ol?
2-(furan-3-yl)-3-methylbut-3-en-2-ol has a molecular weight of 152.19 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 115467221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).