1-(1-adamantyl)-2-(3-methylphenyl)ethanol

C19H26O — CID 63410870

IUPAC1-(1-adamantyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26O/c1-13-3-2-4-14(5-13)9-18(20)19-10-15-6-16(11-19)8-17(7-15)12-19/h2-5,15-18,20H,6-12H2,1H3
InChIKeyFNTVDIBJASONRD-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.11
Rot. Bonds3

About 1-(1-adamantyl)-2-(3-methylphenyl)ethanol

1-(1-adamantyl)-2-(3-methylphenyl)ethanol (PubChem CID 63410870) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(1-adamantyl)-2-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(1-adamantyl)-2-(3-methylphenyl)ethanol
PubChem CID63410870
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-(1-adamantyl)-2-(3-methylphenyl)ethanol
SMILESCc1cccc(CC(O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C19H26O/c1-13-3-2-4-14(5-13)9-18(20)19-10-15-6-16(11-19)8-17(7-15)12-19/h2-5,15-18,20H,6-12H2,1H3
InChIKeyFNTVDIBJASONRD-UHFFFAOYSA-N
XLogP4.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[1-chloro-2-(3-methylphenyl)ethyl]adamantane
CID 63544611
1-[1-bromo-2-(3-methylphenyl)ethyl]adamantane
CID 63531598
1-(1-adamantyl)-2-(2,5-dimethylphenyl)ethanol
CID 63410825
1-(1-adamantyl)-2-(4-fluorophenyl)ethanol
CID 63410783
1-(1-adamantyl)-2-(3-methylphenyl)ethanone
CID 62389784
3-methyl-4-(3-methylphenyl)butan-2-ol
CID 22157927
N-[(1R)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929244
N-[(1S)-1-(1-adamantyl)ethyl]-2-[(3-methylphenyl)methylsulfanyl]acetamide
CID 7929243
1-(2-chloro-2-cyclopropylethyl)-3-methylbenzene
CID 63017026
1-cyclohexyl-2-(3-methylphenyl)ethanol
CID 60798994
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
2-(3-methylphenyl)-1-(oxolan-3-yl)ethanol
CID 63018675

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-2-(3-methylphenyl)ethanol?
The IUPAC name of 1-(1-adamantyl)-2-(3-methylphenyl)ethanol (CID 63410870) is 1-(1-adamantyl)-2-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(1-adamantyl)-2-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(1-adamantyl)-2-(3-methylphenyl)ethanol is Cc1cccc(CC(O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(1-adamantyl)-2-(3-methylphenyl)ethanol?
The InChIKey is FNTVDIBJASONRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-13-3-2-4-14(5-13)9-18(20)19-10-15-6-16(11-19)8-17(7-15)12-19/h2-5,15-18,20H,6-12H2,1H3.
What are the key properties of 1-(1-adamantyl)-2-(3-methylphenyl)ethanol?
1-(1-adamantyl)-2-(3-methylphenyl)ethanol has a molecular weight of 270.42 g/mol, XLogP of 4.11, 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-(3-methylphenyl)ethanol is sourced from PubChem (CID 63410870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).