2-(2-methylphenyl)adamantan-2-ol

C17H22O — CID 14198294

IUPAC2-(2-methylphenyl)adamantan-2-ol
SMILESCc1ccccc1C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22O/c1-11-4-2-3-5-16(11)17(18)14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,18H,6-10H2,1H3
InChIKeyLKWUONFQYOAKEU-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.64
Rot. Bonds1

About 2-(2-methylphenyl)adamantan-2-ol

2-(2-methylphenyl)adamantan-2-ol (PubChem CID 14198294) has the molecular formula C17H22O and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(2-methylphenyl)adamantan-2-ol.

Molecular Properties

Compound Name2-(2-methylphenyl)adamantan-2-ol
PubChem CID14198294
Molecular FormulaC17H22O
Molecular Weight242.36 g/mol
Exact Mass242.17
IUPAC Name2-(2-methylphenyl)adamantan-2-ol
SMILESCc1ccccc1C1(O)C2CC3CC(C2)CC1C3
InChIInChI=1S/C17H22O/c1-11-4-2-3-5-16(11)17(18)14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,18H,6-10H2,1H3
InChIKeyLKWUONFQYOAKEU-UHFFFAOYSA-N
XLogP3.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-bis(2-methylphenyl)adamantane
CID 173019574
9-(2-methylphenyl)bicyclo[3.3.1]nonan-9-ol
CID 10878971
2-(5-hydroxynaphthalen-1-yl)adamantan-2-ol
CID 59052123
2-(2-methoxy-2-adamantyl)phenol
CID 44623365
2-[4-chloro-2-(2-phenylphenyl)phenyl]adamantan-2-ol
CID 170085474
2-ethyl-1-(2-methylphenyl)spiro[2H-pyrrolo[2,3-b]pyridine-3,2'-adamantane]
CID 137458212
2-(2-aminophenyl)bicyclo[2.2.1]heptan-2-ol;ethane
CID 90802702
2-[2-(6-chlorodibenzofuran-2-yl)phenyl]adamantan-2-ol
CID 168834694
2-(4-ethenylphenyl)adamantan-2-ol
CID 118052026
2-(2-aminophenyl)adamantane-2-carbonitrile
CID 4658712
cis-(1S,2S)-2-methyl-1-(2-methylphenyl)cyclohexan-1-ol
CID 21153344
2-[4-chloro-2-(5,5-dimethyldibenzothiophen-3-yl)phenyl]adamantan-2-ol
CID 170006689

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)adamantan-2-ol?
The IUPAC name of 2-(2-methylphenyl)adamantan-2-ol (CID 14198294) is 2-(2-methylphenyl)adamantan-2-ol.
What is the SMILES notation for 2-(2-methylphenyl)adamantan-2-ol?
The canonical SMILES for 2-(2-methylphenyl)adamantan-2-ol is Cc1ccccc1C1(O)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-(2-methylphenyl)adamantan-2-ol?
The InChIKey is LKWUONFQYOAKEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O/c1-11-4-2-3-5-16(11)17(18)14-7-12-6-13(9-14)10-15(17)8-12/h2-5,12-15,18H,6-10H2,1H3.
What are the key properties of 2-(2-methylphenyl)adamantan-2-ol?
2-(2-methylphenyl)adamantan-2-ol has a molecular weight of 242.36 g/mol, XLogP of 3.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)adamantan-2-ol is sourced from PubChem (CID 14198294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).