1-(hydroxymethyl)adamantan-2-ol

C11H18O2 — CID 596248

IUPAC1-(hydroxymethyl)adamantan-2-ol
SMILESOCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2
InChIKeyPUFOBDWCLXCAPH-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.17
Rot. Bonds1

About 1-(hydroxymethyl)adamantan-2-ol

1-(hydroxymethyl)adamantan-2-ol (PubChem CID 596248) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 1-(hydroxymethyl)adamantan-2-ol.

Molecular Properties

Compound Name1-(hydroxymethyl)adamantan-2-ol
PubChem CID596248
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name1-(hydroxymethyl)adamantan-2-ol
SMILESOCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2
InChIKeyPUFOBDWCLXCAPH-UHFFFAOYSA-N
XLogP1.17
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)adamantan-2-ol?
The IUPAC name of 1-(hydroxymethyl)adamantan-2-ol (CID 596248) is 1-(hydroxymethyl)adamantan-2-ol.
What is the SMILES notation for 1-(hydroxymethyl)adamantan-2-ol?
The canonical SMILES for 1-(hydroxymethyl)adamantan-2-ol is OCC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 1-(hydroxymethyl)adamantan-2-ol?
The InChIKey is PUFOBDWCLXCAPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c12-6-11-4-7-1-8(5-11)3-9(2-7)10(11)13/h7-10,12-13H,1-6H2.
What are the key properties of 1-(hydroxymethyl)adamantan-2-ol?
1-(hydroxymethyl)adamantan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)adamantan-2-ol is sourced from PubChem (CID 596248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).