1-adamantyl-(2-methylphenyl)methanol

C18H24O — CID 63410950

IUPAC1-adamantyl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O/c1-12-4-2-3-5-16(12)17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,17,19H,6-11H2,1H3
InChIKeyDZOKSPPVOZNIJI-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.24
Rot. Bonds2

About 1-adamantyl-(2-methylphenyl)methanol

1-adamantyl-(2-methylphenyl)methanol (PubChem CID 63410950) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is 1-adamantyl-(2-methylphenyl)methanol.

Molecular Properties

Compound Name1-adamantyl-(2-methylphenyl)methanol
PubChem CID63410950
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Name1-adamantyl-(2-methylphenyl)methanol
SMILESCc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H24O/c1-12-4-2-3-5-16(12)17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,17,19H,6-11H2,1H3
InChIKeyDZOKSPPVOZNIJI-UHFFFAOYSA-N
XLogP4.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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4-[5-(Hydroxymethyl)-2-adamantyl]phenol
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2-Methylbenzhydrol
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1,3-Diphenylbutan-1-ol
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[2-(3,5-Dimethylphenyl)-5-(2-methyloctan-2-yl)phenyl]methanol
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[4-Tert-butyl-2-(4-phenylphenyl)-6-propan-2-ylphenyl]methanol
CID 57390395
[4-Tert-butyl-2-(4-methylphenyl)-6-propan-2-ylphenyl]methanol
CID 57393988
[4-Tert-butyl-2-(3-phenylphenyl)-6-propan-2-ylphenyl]methanol
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[4-Tert-butyl-2-(3,4-dimethylphenyl)-6-propan-2-ylphenyl]methanol
CID 57395757

Frequently Asked Questions

What is the IUPAC name of 1-adamantyl-(2-methylphenyl)methanol?
The IUPAC name of 1-adamantyl-(2-methylphenyl)methanol (CID 63410950) is 1-adamantyl-(2-methylphenyl)methanol.
What is the SMILES notation for 1-adamantyl-(2-methylphenyl)methanol?
The canonical SMILES for 1-adamantyl-(2-methylphenyl)methanol is Cc1ccccc1C(O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-adamantyl-(2-methylphenyl)methanol?
The InChIKey is DZOKSPPVOZNIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O/c1-12-4-2-3-5-16(12)17(19)18-9-13-6-14(10-18)8-15(7-13)11-18/h2-5,13-15,17,19H,6-11H2,1H3.
What are the key properties of 1-adamantyl-(2-methylphenyl)methanol?
1-adamantyl-(2-methylphenyl)methanol has a molecular weight of 256.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-adamantyl-(2-methylphenyl)methanol is sourced from PubChem (CID 63410950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).