furan-3-yl-(3-methyl-1-adamantyl)methanol

C16H22O2 — CID 115797378

IUPACfuran-3-yl-(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(C(O)c1ccoc1)(C3)C2
InChIInChI=1S/C16H22O2/c1-15-5-11-4-12(6-15)8-16(7-11,10-15)14(17)13-2-3-18-9-13/h2-3,9,11-12,14,17H,4-8,10H2,1H3
InChIKeyDEUYSFRKXXLVGJ-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.92
Rot. Bonds2

About furan-3-yl-(3-methyl-1-adamantyl)methanol

furan-3-yl-(3-methyl-1-adamantyl)methanol (PubChem CID 115797378) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is furan-3-yl-(3-methyl-1-adamantyl)methanol.

Molecular Properties

Compound Namefuran-3-yl-(3-methyl-1-adamantyl)methanol
PubChem CID115797378
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Namefuran-3-yl-(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(C(O)c1ccoc1)(C3)C2
InChIInChI=1S/C16H22O2/c1-15-5-11-4-12(6-15)8-16(7-11,10-15)14(17)13-2-3-18-9-13/h2-3,9,11-12,14,17H,4-8,10H2,1H3
InChIKeyDEUYSFRKXXLVGJ-UHFFFAOYSA-N
XLogP3.92
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze furan-3-yl-(3-methyl-1-adamantyl)methanol 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 furan-3-yl-(3-methyl-1-adamantyl)methanol?
The IUPAC name of furan-3-yl-(3-methyl-1-adamantyl)methanol (CID 115797378) is furan-3-yl-(3-methyl-1-adamantyl)methanol.
What is the SMILES notation for furan-3-yl-(3-methyl-1-adamantyl)methanol?
The canonical SMILES for furan-3-yl-(3-methyl-1-adamantyl)methanol is CC12CC3CC(C1)CC(C(O)c1ccoc1)(C3)C2.
What is the InChIKey of furan-3-yl-(3-methyl-1-adamantyl)methanol?
The InChIKey is DEUYSFRKXXLVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-15-5-11-4-12(6-15)8-16(7-11,10-15)14(17)13-2-3-18-9-13/h2-3,9,11-12,14,17H,4-8,10H2,1H3.
What are the key properties of furan-3-yl-(3-methyl-1-adamantyl)methanol?
furan-3-yl-(3-methyl-1-adamantyl)methanol has a molecular weight of 246.35 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for furan-3-yl-(3-methyl-1-adamantyl)methanol is sourced from PubChem (CID 115797378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).