1-(2-methoxyphenyl)-3,5-dimethyladamantane

C19H26O — CID 59318507

IUPAC1-(2-methoxyphenyl)-3,5-dimethyladamantane
SMILESCOc1ccccc1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H26O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)15-6-4-5-7-16(15)20-3/h4-7,14H,8-13H2,1-3H3
InChIKeyWSYLFVAGLVKWJW-UHFFFAOYSA-N
MW270.42 g/mol
LogP4.94
Rot. Bonds2

About 1-(2-methoxyphenyl)-3,5-dimethyladamantane

1-(2-methoxyphenyl)-3,5-dimethyladamantane (PubChem CID 59318507) has the molecular formula C19H26O and a molecular weight of 270.42 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3,5-dimethyladamantane.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3,5-dimethyladamantane
PubChem CID59318507
Molecular FormulaC19H26O
Molecular Weight270.42 g/mol
Exact Mass270.20
IUPAC Name1-(2-methoxyphenyl)-3,5-dimethyladamantane
SMILESCOc1ccccc1C12CC3CC(C)(CC(C)(C3)C1)C2
InChIInChI=1S/C19H26O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)15-6-4-5-7-16(15)20-3/h4-7,14H,8-13H2,1-3H3
InChIKeyWSYLFVAGLVKWJW-UHFFFAOYSA-N
XLogP4.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3,5-dimethyladamantane?
The IUPAC name of 1-(2-methoxyphenyl)-3,5-dimethyladamantane (CID 59318507) is 1-(2-methoxyphenyl)-3,5-dimethyladamantane.
What is the SMILES notation for 1-(2-methoxyphenyl)-3,5-dimethyladamantane?
The canonical SMILES for 1-(2-methoxyphenyl)-3,5-dimethyladamantane is COc1ccccc1C12CC3CC(C)(CC(C)(C3)C1)C2.
What is the InChIKey of 1-(2-methoxyphenyl)-3,5-dimethyladamantane?
The InChIKey is WSYLFVAGLVKWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O/c1-17-8-14-9-18(2,11-17)13-19(10-14,12-17)15-6-4-5-7-16(15)20-3/h4-7,14H,8-13H2,1-3H3.
What are the key properties of 1-(2-methoxyphenyl)-3,5-dimethyladamantane?
1-(2-methoxyphenyl)-3,5-dimethyladamantane has a molecular weight of 270.42 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3,5-dimethyladamantane is sourced from PubChem (CID 59318507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).