1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol

C12H16O4 — CID 132940966

IUPAC1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol
SMILESCOC1=C(C)OC2OC(C)=CC(C(C)O)=C12
InChIInChI=1S/C12H16O4/c1-6-5-9(7(2)13)10-11(14-4)8(3)16-12(10)15-6/h5,7,12-13H,1-4H3
InChIKeyCZCLDUKCZJEPOA-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol

1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol (PubChem CID 132940966) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol.

Molecular Properties

Compound Name1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol
PubChem CID132940966
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol
SMILESCOC1=C(C)OC2OC(C)=CC(C(C)O)=C12
InChIInChI=1S/C12H16O4/c1-6-5-9(7(2)13)10-11(14-4)8(3)16-12(10)15-6/h5,7,12-13H,1-4H3
InChIKeyCZCLDUKCZJEPOA-UHFFFAOYSA-N
XLogP1.83
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol?
The IUPAC name of 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol (CID 132940966) is 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol.
What is the SMILES notation for 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol?
The canonical SMILES for 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol is COC1=C(C)OC2OC(C)=CC(C(C)O)=C12.
What is the InChIKey of 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol?
The InChIKey is CZCLDUKCZJEPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-6-5-9(7(2)13)10-11(14-4)8(3)16-12(10)15-6/h5,7,12-13H,1-4H3.
What are the key properties of 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol?
1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,6-dimethyl-7aH-furo[2,3-b]pyran-4-yl)ethanol is sourced from PubChem (CID 132940966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).