2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol

C14H24O2 — CID 2829880

IUPAC2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol
SMILESOCCC12CC3CC(C1)CC(CCO)(C3)C2
InChIInChI=1S/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
InChIKeyVUROTIPIKUBXPR-UHFFFAOYSA-N
MW224.34 g/mol
LogP2.34
Rot. Bonds4

About 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol

2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol (PubChem CID 2829880) has the molecular formula C14H24O2 and a molecular weight of 224.34 g/mol. Its IUPAC name is 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol.

Molecular Properties

Compound Name2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol
PubChem CID2829880
Molecular FormulaC14H24O2
Molecular Weight224.34 g/mol
Exact Mass224.18
IUPAC Name2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol
SMILESOCCC12CC3CC(C1)CC(CCO)(C3)C2
InChIInChI=1S/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
InChIKeyVUROTIPIKUBXPR-UHFFFAOYSA-N
XLogP2.34
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol?
The IUPAC name of 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol (CID 2829880) is 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol.
What is the SMILES notation for 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol?
The canonical SMILES for 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol is OCCC12CC3CC(C1)CC(CCO)(C3)C2.
What is the InChIKey of 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol?
The InChIKey is VUROTIPIKUBXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2.
What are the key properties of 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol?
2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol has a molecular weight of 224.34 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-hydroxyethyl)-1-adamantyl]ethanol is sourced from PubChem (CID 2829880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).