(2-methyl-3H-furan-2-yl)methanol

C6H10O2 — CID 70192182

IUPAC(2-methyl-3H-furan-2-yl)methanol
SMILESCC1(CO)CC=CO1
InChIInChI=1S/C6H10O2/c1-6(5-7)3-2-4-8-6/h2,4,7H,3,5H2,1H3
InChIKeyWBBANDSXKCNJLZ-UHFFFAOYSA-N
MW114.14 g/mol
LogP0.67
Rot. Bonds1

About (2-methyl-3H-furan-2-yl)methanol

(2-methyl-3H-furan-2-yl)methanol (PubChem CID 70192182) has the molecular formula C6H10O2 and a molecular weight of 114.14 g/mol. Its IUPAC name is (2-methyl-3H-furan-2-yl)methanol.

Molecular Properties

Compound Name(2-methyl-3H-furan-2-yl)methanol
PubChem CID70192182
Molecular FormulaC6H10O2
Molecular Weight114.14 g/mol
Exact Mass114.07
IUPAC Name(2-methyl-3H-furan-2-yl)methanol
SMILESCC1(CO)CC=CO1
InChIInChI=1S/C6H10O2/c1-6(5-7)3-2-4-8-6/h2,4,7H,3,5H2,1H3
InChIKeyWBBANDSXKCNJLZ-UHFFFAOYSA-N
XLogP0.67
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.14
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-3H-furan-2-yl)methanol?
The IUPAC name of (2-methyl-3H-furan-2-yl)methanol (CID 70192182) is (2-methyl-3H-furan-2-yl)methanol.
What is the SMILES notation for (2-methyl-3H-furan-2-yl)methanol?
The canonical SMILES for (2-methyl-3H-furan-2-yl)methanol is CC1(CO)CC=CO1.
What is the InChIKey of (2-methyl-3H-furan-2-yl)methanol?
The InChIKey is WBBANDSXKCNJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O2/c1-6(5-7)3-2-4-8-6/h2,4,7H,3,5H2,1H3.
What are the key properties of (2-methyl-3H-furan-2-yl)methanol?
(2-methyl-3H-furan-2-yl)methanol has a molecular weight of 114.14 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-3H-furan-2-yl)methanol is sourced from PubChem (CID 70192182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).