1-ethyladamantane-2,4-diol

C12H20O2 — CID 175122175

IUPAC1-ethyladamantane-2,4-diol
SMILESCCC12CC3CC(C1)C(O)C(C3)C2O
InChIInChI=1S/C12H20O2/c1-2-12-5-7-3-8(6-12)10(13)9(4-7)11(12)14/h7-11,13-14H,2-6H2,1H3
InChIKeyAOJXUPXZMQHLIA-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.55
Rot. Bonds1

About 1-ethyladamantane-2,4-diol

1-ethyladamantane-2,4-diol (PubChem CID 175122175) has the molecular formula C12H20O2 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-ethyladamantane-2,4-diol.

Molecular Properties

Compound Name1-ethyladamantane-2,4-diol
PubChem CID175122175
Molecular FormulaC12H20O2
Molecular Weight196.29 g/mol
Exact Mass196.15
IUPAC Name1-ethyladamantane-2,4-diol
SMILESCCC12CC3CC(C1)C(O)C(C3)C2O
InChIInChI=1S/C12H20O2/c1-2-12-5-7-3-8(6-12)10(13)9(4-7)11(12)14/h7-11,13-14H,2-6H2,1H3
InChIKeyAOJXUPXZMQHLIA-UHFFFAOYSA-N
XLogP1.55
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-2,4-dimethyladamantane
CID 90877999
2-methyladamantane-1,4-diol
CID 150043877
(2S,5S,7S)-1-(hydroxymethyl)adamantan-2-ol
CID 124583912
(5S,7R)-1-(hydroxymethyl)adamantan-2-ol
CID 102508156
propan-2-yl 2,4-dihydroxyadamantane-1-carboxylate
CID 175219736
5-(1-adamantyl)adamantan-2-ol
CID 68898703
1-(3-hydroxypropyl)adamantan-2-ol
CID 73302392
(2R,5S,7S)-1-[(4-methylpiperazin-1-yl)methyl]adamantan-2-ol
CID 129452842
5-bromoadamantan-2-ol
CID 12660030
1-methyladamantan-2-ol
CID 12697517
5-chloroadamantan-2-ol
CID 12660028
3-(ethoxymethyl)tricyclo[3.2.1.03,6]octane
CID 147477215

Frequently Asked Questions

What is the IUPAC name of 1-ethyladamantane-2,4-diol?
The IUPAC name of 1-ethyladamantane-2,4-diol (CID 175122175) is 1-ethyladamantane-2,4-diol.
What is the SMILES notation for 1-ethyladamantane-2,4-diol?
The canonical SMILES for 1-ethyladamantane-2,4-diol is CCC12CC3CC(C1)C(O)C(C3)C2O.
What is the InChIKey of 1-ethyladamantane-2,4-diol?
The InChIKey is AOJXUPXZMQHLIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2/c1-2-12-5-7-3-8(6-12)10(13)9(4-7)11(12)14/h7-11,13-14H,2-6H2,1H3.
What are the key properties of 1-ethyladamantane-2,4-diol?
1-ethyladamantane-2,4-diol has a molecular weight of 196.29 g/mol, XLogP of 1.55, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyladamantane-2,4-diol is sourced from PubChem (CID 175122175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).