2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol

C13H22O2 — CID 853564

IUPAC2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
SMILESOCCC12C[C@@H]3C[C@@H](CC(CO)(C3)C1)C2
InChIInChI=1S/C13H22O2/c14-2-1-12-4-10-3-11(5-12)7-13(6-10,8-12)9-15/h10-11,14-15H,1-9H2/t10-,11+,12?,13?
InChIKeyPJLNWKFKZCTHHO-MPEURRAXSA-N
MW210.32 g/mol
LogP1.95
Rot. Bonds3

About 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol

2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol (PubChem CID 853564) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol.

Molecular Properties

Compound Name2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
PubChem CID853564
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol
SMILESOCCC12C[C@@H]3C[C@@H](CC(CO)(C3)C1)C2
InChIInChI=1S/C13H22O2/c14-2-1-12-4-10-3-11(5-12)7-13(6-10,8-12)9-15/h10-11,14-15H,1-9H2/t10-,11+,12?,13?
InChIKeyPJLNWKFKZCTHHO-MPEURRAXSA-N
XLogP1.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-adamantylmethanol;hydrochloride
CID 141053946
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine
CID 818513
2-[3,5,7-tris(2-hydroxyethyl)-1-adamantyl]ethanol
CID 24784662
2-[3-(2-hydroxyethyl)-1-adamantyl]ethyl 3-methylbut-2-enoate
CID 141201817
3-[3-(2-hydroxyethyl)-1-adamantyl]propyl prop-2-enoate
CID 174530143
2-[3-(2-aminoethyl)-1-adamantyl]ethanamine;dihydrochloride
CID 53444440
[(3S,6S)-1-tricyclo[4.3.1.13,8]undecanyl]methanol
CID 6974562
[3-(hydroxymethyl)-1-adamantyl]methyl 2,2-difluoroacetate
CID 58225798
[(8R)-6-tetracyclo[4.3.1.11,4.02,8]undecanyl]methanol
CID 163953655
[3-(trinitromethyl)-1-adamantyl]methanol
CID 15025051
3-[(5R,7R)-3-hydroxy-1-adamantyl]propanoic acid
CID 6928724
propyl 2-[3-(2-hydroxyethyl)-1-adamantyl]prop-2-enoate
CID 174530144

Frequently Asked Questions

What is the IUPAC name of 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol?
The IUPAC name of 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol (CID 853564) is 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol.
What is the SMILES notation for 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol?
The canonical SMILES for 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol is OCCC12C[C@@H]3C[C@@H](CC(CO)(C3)C1)C2.
What is the InChIKey of 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol?
The InChIKey is PJLNWKFKZCTHHO-MPEURRAXSA-N. The full InChI is InChI=1S/C13H22O2/c14-2-1-12-4-10-3-11(5-12)7-13(6-10,8-12)9-15/h10-11,14-15H,1-9H2/t10-,11+,12?,13?.
What are the key properties of 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol?
2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol has a molecular weight of 210.32 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S,7R)-3-(hydroxymethyl)-1-adamantyl]ethanol is sourced from PubChem (CID 853564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).