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

C13H18O2 — CID 79334632

IUPAC2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccc(C2CC2C)o1)CO
InChIInChI=1S/C13H18O2/c1-3-10(8-14)7-11-4-5-13(15-11)12-6-9(12)2/h4-5,7,9,12,14H,3,6,8H2,1-2H3
InChIKeyAQSFFKNVPLYYSB-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.19
Rot. Bonds4

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

2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol (PubChem CID 79334632) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol.

Molecular Properties

Compound Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol
PubChem CID79334632
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol
SMILESCCC(=Cc1ccc(C2CC2C)o1)CO
InChIInChI=1S/C13H18O2/c1-3-10(8-14)7-11-4-5-13(15-11)12-6-9(12)2/h4-5,7,9,12,14H,3,6,8H2,1-2H3
InChIKeyAQSFFKNVPLYYSB-UHFFFAOYSA-N
XLogP3.19
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol?
The IUPAC name of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol (CID 79334632) is 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol.
What is the SMILES notation for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol?
The canonical SMILES for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol is CCC(=Cc1ccc(C2CC2C)o1)CO.
What is the InChIKey of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol?
The InChIKey is AQSFFKNVPLYYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-3-10(8-14)7-11-4-5-13(15-11)12-6-9(12)2/h4-5,7,9,12,14H,3,6,8H2,1-2H3.
What are the key properties of 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol?
2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol has a molecular weight of 206.28 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(2-methylcyclopropyl)furan-2-yl]methylidene]butan-1-ol is sourced from PubChem (CID 79334632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).