2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol

C13H20O2 — CID 79445931

IUPAC2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol
SMILESCCC(C)C(O)c1ccc(C2CC2C)o1
InChIInChI=1S/C13H20O2/c1-4-8(2)13(14)12-6-5-11(15-12)10-7-9(10)3/h5-6,8-10,13-14H,4,7H2,1-3H3
InChIKeyHLVFQJVDESZTAW-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.48
Rot. Bonds4

About 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol

2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol (PubChem CID 79445931) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol.

Molecular Properties

Compound Name2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol
PubChem CID79445931
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol
SMILESCCC(C)C(O)c1ccc(C2CC2C)o1
InChIInChI=1S/C13H20O2/c1-4-8(2)13(14)12-6-5-11(15-12)10-7-9(10)3/h5-6,8-10,13-14H,4,7H2,1-3H3
InChIKeyHLVFQJVDESZTAW-UHFFFAOYSA-N
XLogP3.48
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol?
The IUPAC name of 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol (CID 79445931) is 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol.
What is the SMILES notation for 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol?
The canonical SMILES for 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol is CCC(C)C(O)c1ccc(C2CC2C)o1.
What is the InChIKey of 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol?
The InChIKey is HLVFQJVDESZTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c1-4-8(2)13(14)12-6-5-11(15-12)10-7-9(10)3/h5-6,8-10,13-14H,4,7H2,1-3H3.
What are the key properties of 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol?
2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[5-(2-methylcyclopropyl)furan-2-yl]butan-1-ol is sourced from PubChem (CID 79445931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).