1-(3-hydroxypropyl)adamantan-2-ol

C13H22O2 — CID 73302392

IUPAC1-(3-hydroxypropyl)adamantan-2-ol
SMILESOCCCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C13H22O2/c14-3-1-2-13-7-9-4-10(8-13)6-11(5-9)12(13)15/h9-12,14-15H,1-8H2
InChIKeyPEODPCGRUOHPRD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.95
Rot. Bonds3

About 1-(3-hydroxypropyl)adamantan-2-ol

1-(3-hydroxypropyl)adamantan-2-ol (PubChem CID 73302392) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)adamantan-2-ol.

Molecular Properties

Compound Name1-(3-hydroxypropyl)adamantan-2-ol
PubChem CID73302392
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name1-(3-hydroxypropyl)adamantan-2-ol
SMILESOCCCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C13H22O2/c14-3-1-2-13-7-9-4-10(8-13)6-11(5-9)12(13)15/h9-12,14-15H,1-8H2
InChIKeyPEODPCGRUOHPRD-UHFFFAOYSA-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

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Related Compounds

(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
3-(3-tricyclo[3.3.1.03,7]nonanyl)propan-1-ol
CID 130130448
(2R,5S,7S)-1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol
CID 129452842
(2S,5R,7R)-1-(3-hydroxy-3,3-diphenylpropyl)adamantan-2-ol
CID 98502730
1-aminoadamantan-2-ol
CID 12563267
1-methyladamantan-2-ol
CID 12697517
CID 173183880
CID 173183880
(2-hydroxy-1-adamantyl)methyl 2,2-difluoropropanoate
CID 59602419
3-[2-(1-adamantyl)ethylsulfanyl]propan-1-ol
CID 66113859
2-(3-hydroxypropyl)adamantan-2-ol
CID 14913337
2-hydroxyadamantane-1-carbonitrile
CID 121217220

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)adamantan-2-ol?
The IUPAC name of 1-(3-hydroxypropyl)adamantan-2-ol (CID 73302392) is 1-(3-hydroxypropyl)adamantan-2-ol.
What is the SMILES notation for 1-(3-hydroxypropyl)adamantan-2-ol?
The canonical SMILES for 1-(3-hydroxypropyl)adamantan-2-ol is OCCCC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 1-(3-hydroxypropyl)adamantan-2-ol?
The InChIKey is PEODPCGRUOHPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22O2/c14-3-1-2-13-7-9-4-10(8-13)6-11(5-9)12(13)15/h9-12,14-15H,1-8H2.
What are the key properties of 1-(3-hydroxypropyl)adamantan-2-ol?
1-(3-hydroxypropyl)adamantan-2-ol 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 1-(3-hydroxypropyl)adamantan-2-ol is sourced from PubChem (CID 73302392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).