2-(furan-3-ylmethyl)adamantan-2-ol

C15H20O2 — CID 114082142

IUPAC2-(furan-3-ylmethyl)adamantan-2-ol
SMILESOC1(Cc2ccoc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20O2/c16-15(8-10-1-2-17-9-10)13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-14,16H,3-8H2
InChIKeyNDOYSZCDTQFCBS-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.01
Rot. Bonds2

About 2-(furan-3-ylmethyl)adamantan-2-ol

2-(furan-3-ylmethyl)adamantan-2-ol (PubChem CID 114082142) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)adamantan-2-ol
PubChem CID114082142
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-(furan-3-ylmethyl)adamantan-2-ol
SMILESOC1(Cc2ccoc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C15H20O2/c16-15(8-10-1-2-17-9-10)13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-14,16H,3-8H2
InChIKeyNDOYSZCDTQFCBS-UHFFFAOYSA-N
XLogP3.01
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)adamantan-2-ol?
The IUPAC name of 2-(furan-3-ylmethyl)adamantan-2-ol (CID 114082142) is 2-(furan-3-ylmethyl)adamantan-2-ol.
What is the SMILES notation for 2-(furan-3-ylmethyl)adamantan-2-ol?
The canonical SMILES for 2-(furan-3-ylmethyl)adamantan-2-ol is OC1(Cc2ccoc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(furan-3-ylmethyl)adamantan-2-ol?
The InChIKey is NDOYSZCDTQFCBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-15(8-10-1-2-17-9-10)13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-14,16H,3-8H2.
What are the key properties of 2-(furan-3-ylmethyl)adamantan-2-ol?
2-(furan-3-ylmethyl)adamantan-2-ol has a molecular weight of 232.32 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)adamantan-2-ol is sourced from PubChem (CID 114082142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).