(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol

C19H26O2 — CID 114978827

IUPAC(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
SMILESCOc1ccccc1C(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H26O2/c1-18-8-13-7-14(9-18)11-19(10-13,12-18)17(20)15-5-3-4-6-16(15)21-2/h3-6,13-14,17,20H,7-12H2,1-2H3
InChIKeyAHWKHMVTNTXTAU-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.34
Rot. Bonds3

About (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol

(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol (PubChem CID 114978827) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol.

Molecular Properties

Compound Name(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
PubChem CID114978827
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol
SMILESCOc1ccccc1C(O)C12CC3CC(CC(C)(C3)C1)C2
InChIInChI=1S/C19H26O2/c1-18-8-13-7-14(9-18)11-19(10-13,12-18)17(20)15-5-3-4-6-16(15)21-2/h3-6,13-14,17,20H,7-12H2,1-2H3
InChIKeyAHWKHMVTNTXTAU-UHFFFAOYSA-N
XLogP4.34
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-adamantyl-(2-methoxyphenyl)methanol
CID 63410949
furan-3-yl-(3-methyl-1-adamantyl)methanol
CID 115797378
1-adamantyl-(2-methylphenyl)methanol
CID 63410950
cycloocten-1-yl-(3-methyl-1-adamantyl)methanol
CID 106657583
1-(2-methoxyphenyl)-3,5-dimethyladamantane
CID 59318507
(3-methyl-1-adamantyl)-thiophen-2-ylmethanamine
CID 113402734
1-cyclopropyl-2-(2-methoxyphenyl)ethane-1,2-diol
CID 103456830
1-[1-(1-adamantyl)ethyl]-3-(2-methoxyphenyl)urea
CID 108866526
N-[(1R)-1-(1-adamantyl)ethyl]-2,6-dimethoxybenzamide
CID 7302966
hydroxy-tris(2-methoxyphenyl)phosphanium
CID 87283102
[benzenesulfonyloxy-(3-methyl-1-adamantyl)methyl] prop-2-enoate
CID 141136985
[2-(benzenesulfonyloxy)-1-(3-methyl-1-adamantyl)ethyl] 2-methylprop-2-enoate
CID 141248511

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol?
The IUPAC name of (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol (CID 114978827) is (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol.
What is the SMILES notation for (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol?
The canonical SMILES for (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol is COc1ccccc1C(O)C12CC3CC(CC(C)(C3)C1)C2.
What is the InChIKey of (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol?
The InChIKey is AHWKHMVTNTXTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-18-8-13-7-14(9-18)11-19(10-13,12-18)17(20)15-5-3-4-6-16(15)21-2/h3-6,13-14,17,20H,7-12H2,1-2H3.
What are the key properties of (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol?
(2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol has a molecular weight of 286.41 g/mol, XLogP of 4.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-(3-methyl-1-adamantyl)methanol is sourced from PubChem (CID 114978827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).