1-(2,4-dimethoxyphenyl)adamantane

C18H24O2 — CID 23741844

IUPAC1-(2,4-dimethoxyphenyl)adamantane
SMILESCOc1ccc(C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C18H24O2/c1-19-15-3-4-16(17(8-15)20-2)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,5-7,9-11H2,1-2H3
InChIKeyRGASAKISMMPUOE-UHFFFAOYSA-N
MW272.39 g/mol
LogP4.17
Rot. Bonds3

About 1-(2,4-dimethoxyphenyl)adamantane

1-(2,4-dimethoxyphenyl)adamantane (PubChem CID 23741844) has the molecular formula C18H24O2 and a molecular weight of 272.39 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)adamantane.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)adamantane
PubChem CID23741844
Molecular FormulaC18H24O2
Molecular Weight272.39 g/mol
Exact Mass272.18
IUPAC Name1-(2,4-dimethoxyphenyl)adamantane
SMILESCOc1ccc(C23CC4CC(CC(C4)C2)C3)c(OC)c1
InChIInChI=1S/C18H24O2/c1-19-15-3-4-16(17(8-15)20-2)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,5-7,9-11H2,1-2H3
InChIKeyRGASAKISMMPUOE-UHFFFAOYSA-N
XLogP4.17
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)adamantane?
The IUPAC name of 1-(2,4-dimethoxyphenyl)adamantane (CID 23741844) is 1-(2,4-dimethoxyphenyl)adamantane.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)adamantane?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)adamantane is COc1ccc(C23CC4CC(CC(C4)C2)C3)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)adamantane?
The InChIKey is RGASAKISMMPUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O2/c1-19-15-3-4-16(17(8-15)20-2)18-9-12-5-13(10-18)7-14(6-12)11-18/h3-4,8,12-14H,5-7,9-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)adamantane?
1-(2,4-dimethoxyphenyl)adamantane has a molecular weight of 272.39 g/mol, XLogP of 4.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)adamantane is sourced from PubChem (CID 23741844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).