2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol

C17H24O2 — CID 115830404

IUPAC2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol
SMILESCC12CC3CC(C1)CC(C(O)Cc1ccoc1)(C3)C2
InChIInChI=1S/C17H24O2/c1-16-6-13-4-14(7-16)9-17(8-13,11-16)15(18)5-12-2-3-19-10-12/h2-3,10,13-15,18H,4-9,11H2,1H3
InChIKeyBEXXIPRJIRCKKG-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.79
Rot. Bonds3

About 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol

2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol (PubChem CID 115830404) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol.

Molecular Properties

Compound Name2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol
PubChem CID115830404
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol
SMILESCC12CC3CC(C1)CC(C(O)Cc1ccoc1)(C3)C2
InChIInChI=1S/C17H24O2/c1-16-6-13-4-14(7-16)9-17(8-13,11-16)15(18)5-12-2-3-19-10-12/h2-3,10,13-15,18H,4-9,11H2,1H3
InChIKeyBEXXIPRJIRCKKG-UHFFFAOYSA-N
XLogP3.79
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol?
The IUPAC name of 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol (CID 115830404) is 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol.
What is the SMILES notation for 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol?
The canonical SMILES for 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol is CC12CC3CC(C1)CC(C(O)Cc1ccoc1)(C3)C2.
What is the InChIKey of 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol?
The InChIKey is BEXXIPRJIRCKKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-16-6-13-4-14(7-16)9-17(8-13,11-16)15(18)5-12-2-3-19-10-12/h2-3,10,13-15,18H,4-9,11H2,1H3.
What are the key properties of 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol?
2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol has a molecular weight of 260.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-1-(3-methyl-1-adamantyl)ethanol is sourced from PubChem (CID 115830404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).