1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol

C20H28O — CID 63410825

IUPAC1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H28O/c1-13-3-4-14(2)18(5-13)9-19(21)20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17,19,21H,6-12H2,1-2H3
InChIKeyUYMWCTBKWLLLMB-UHFFFAOYSA-N
MW284.44 g/mol
LogP4.42
Rot. Bonds3

About 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol

1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol (PubChem CID 63410825) has the molecular formula C20H28O and a molecular weight of 284.44 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
PubChem CID63410825
Molecular FormulaC20H28O
Molecular Weight284.44 g/mol
Exact Mass284.21
IUPAC Name1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
SMILESCc1ccc(C)c(CC(O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C20H28O/c1-13-3-4-14(2)18(5-13)9-19(21)20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17,19,21H,6-12H2,1-2H3
InChIKeyUYMWCTBKWLLLMB-UHFFFAOYSA-N
XLogP4.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.44
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-adamantyl)-2-(3-methylphenyl)ethanol
CID 63410870
1-cyclopropyl-2-(2,5-dimethylphenyl)ethanol
CID 61481966
2-(2,5-dimethylphenyl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethanol
CID 79060566
N-(1-adamantyl)-2-(2,5-dimethylphenyl)acetamide
CID 92682215
1-[chloro-(2,4-dimethylphenyl)methyl]adamantane
CID 63430019
2-(2,5-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanol
CID 63017736
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-3-methoxybutan-2-ol
CID 79616300
2-(2,5-dimethylphenyl)-1-(4-methylphenyl)ethanol
CID 61481687
1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
CID 63410783
1-(2,5-dimethylphenyl)-3-ethylpentan-2-ol
CID 63016045
2-(2,5-dimethylphenyl)-1-(3-ethylthiophen-2-yl)ethanol
CID 79976014

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol (CID 63410825) is 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol is Cc1ccc(C)c(CC(O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol?
The InChIKey is UYMWCTBKWLLLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O/c1-13-3-4-14(2)18(5-13)9-19(21)20-10-15-6-16(11-20)8-17(7-15)12-20/h3-5,15-17,19,21H,6-12H2,1-2H3.
What are the key properties of 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol?
1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol has a molecular weight of 284.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol is sourced from PubChem (CID 63410825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).