2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol

C8H12O4 — CID 130144102

IUPAC2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol
SMILESC=C1OC(C(C)CO)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-4(3-9)8-7(11)6(10)5(2)12-8/h4,8-11H,2-3H2,1H3
InChIKeyWEYCPRALITZQSV-UHFFFAOYSA-N
MW172.18 g/mol
LogP0.85
Rot. Bonds2

About 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol

2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol (PubChem CID 130144102) has the molecular formula C8H12O4 and a molecular weight of 172.18 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol
PubChem CID130144102
Molecular FormulaC8H12O4
Molecular Weight172.18 g/mol
Exact Mass172.07
IUPAC Name2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol
SMILESC=C1OC(C(C)CO)C(O)=C1O
InChIInChI=1S/C8H12O4/c1-4(3-9)8-7(11)6(10)5(2)12-8/h4,8-11H,2-3H2,1H3
InChIKeyWEYCPRALITZQSV-UHFFFAOYSA-N
XLogP0.85
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.18
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol (CID 130144102) is 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol is C=C1OC(C(C)CO)C(O)=C1O.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol?
The InChIKey is WEYCPRALITZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O4/c1-4(3-9)8-7(11)6(10)5(2)12-8/h4,8-11H,2-3H2,1H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol?
2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol has a molecular weight of 172.18 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-5-methylidene-2H-furan-3,4-diol is sourced from PubChem (CID 130144102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).