1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol

C11H16O2 — CID 131145602

IUPAC1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol
SMILESCc1cocc1C(C)(O)C1(C)CC1
InChIInChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(3,12)10(2)4-5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyGNLSYKLTFDVHJY-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.60
Rot. Bonds2

About 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol

1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol (PubChem CID 131145602) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol.

Molecular Properties

Compound Name1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol
PubChem CID131145602
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol
SMILESCc1cocc1C(C)(O)C1(C)CC1
InChIInChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(3,12)10(2)4-5-10/h6-7,12H,4-5H2,1-3H3
InChIKeyGNLSYKLTFDVHJY-UHFFFAOYSA-N
XLogP2.60
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol?
The IUPAC name of 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol (CID 131145602) is 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol.
What is the SMILES notation for 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol?
The canonical SMILES for 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol is Cc1cocc1C(C)(O)C1(C)CC1.
What is the InChIKey of 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol?
The InChIKey is GNLSYKLTFDVHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-8-6-13-7-9(8)11(3,12)10(2)4-5-10/h6-7,12H,4-5H2,1-3H3.
What are the key properties of 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol?
1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylcyclopropyl)-1-(4-methylfuran-3-yl)ethanol is sourced from PubChem (CID 131145602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).