(E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol

C9H12O2 — CID 103091218

IUPAC(E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccoc1)C(C)O
InChIInChI=1S/C9H12O2/c1-7(8(2)10)5-9-3-4-11-6-9/h3-6,8,10H,1-2H3/b7-5+
InChIKeyDDZXNVIMTYVVAO-FNORWQNLSA-N
MW152.19 g/mol
LogP2.06
Rot. Bonds2

About (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol

(E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol (PubChem CID 103091218) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol
PubChem CID103091218
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name(E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol
SMILESC/C(=C\c1ccoc1)C(C)O
InChIInChI=1S/C9H12O2/c1-7(8(2)10)5-9-3-4-11-6-9/h3-6,8,10H,1-2H3/b7-5+
InChIKeyDDZXNVIMTYVVAO-FNORWQNLSA-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

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Frequently Asked Questions

What is the IUPAC name of (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol?
The IUPAC name of (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol (CID 103091218) is (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol.
What is the SMILES notation for (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol?
The canonical SMILES for (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol is C/C(=C\c1ccoc1)C(C)O.
What is the InChIKey of (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol?
The InChIKey is DDZXNVIMTYVVAO-FNORWQNLSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(8(2)10)5-9-3-4-11-6-9/h3-6,8,10H,1-2H3/b7-5+.
What are the key properties of (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol?
(E)-4-(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 (E)-4-(furan-3-yl)-3-methylbut-3-en-2-ol is sourced from PubChem (CID 103091218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).