1-(3,5-dimethylphenyl)adamantane

C18H24 — CID 522511

IUPAC1-(3,5-dimethylphenyl)adamantane
SMILESCc1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24/c1-12-3-13(2)5-17(4-12)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3
InChIKeyQVROSZXSMHWOAF-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.77
Rot. Bonds1

About 1-(3,5-dimethylphenyl)adamantane

1-(3,5-dimethylphenyl)adamantane (PubChem CID 522511) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)adamantane.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)adamantane
PubChem CID522511
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-(3,5-dimethylphenyl)adamantane
SMILESCc1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C18H24/c1-12-3-13(2)5-17(4-12)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3
InChIKeyQVROSZXSMHWOAF-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)adamantane?
The IUPAC name of 1-(3,5-dimethylphenyl)adamantane (CID 522511) is 1-(3,5-dimethylphenyl)adamantane.
What is the SMILES notation for 1-(3,5-dimethylphenyl)adamantane?
The canonical SMILES for 1-(3,5-dimethylphenyl)adamantane is Cc1cc(C)cc(C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)adamantane?
The InChIKey is QVROSZXSMHWOAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-12-3-13(2)5-17(4-12)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,14-16H,6-11H2,1-2H3.
What are the key properties of 1-(3,5-dimethylphenyl)adamantane?
1-(3,5-dimethylphenyl)adamantane has a molecular weight of 240.39 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)adamantane is sourced from PubChem (CID 522511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).