1-(4-ethylphenyl)adamantane

C18H24 — CID 603063

IUPAC1-(4-ethylphenyl)adamantane
SMILESCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24/c1-2-13-3-5-17(6-4-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h3-6,14-16H,2,7-12H2,1H3
InChIKeyNBKDLEUUBMSFNQ-UHFFFAOYSA-N
MW240.39 g/mol
LogP4.72
Rot. Bonds2

About 1-(4-ethylphenyl)adamantane

1-(4-ethylphenyl)adamantane (PubChem CID 603063) has the molecular formula C18H24 and a molecular weight of 240.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)adamantane.

Molecular Properties

Compound Name1-(4-ethylphenyl)adamantane
PubChem CID603063
Molecular FormulaC18H24
Molecular Weight240.39 g/mol
Exact Mass240.19
IUPAC Name1-(4-ethylphenyl)adamantane
SMILESCCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C18H24/c1-2-13-3-5-17(6-4-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h3-6,14-16H,2,7-12H2,1H3
InChIKeyNBKDLEUUBMSFNQ-UHFFFAOYSA-N
XLogP4.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)adamantane?
The IUPAC name of 1-(4-ethylphenyl)adamantane (CID 603063) is 1-(4-ethylphenyl)adamantane.
What is the SMILES notation for 1-(4-ethylphenyl)adamantane?
The canonical SMILES for 1-(4-ethylphenyl)adamantane is CCc1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(4-ethylphenyl)adamantane?
The InChIKey is NBKDLEUUBMSFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24/c1-2-13-3-5-17(6-4-13)18-10-14-7-15(11-18)9-16(8-14)12-18/h3-6,14-16H,2,7-12H2,1H3.
What are the key properties of 1-(4-ethylphenyl)adamantane?
1-(4-ethylphenyl)adamantane has a molecular weight of 240.39 g/mol, XLogP of 4.72, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)adamantane is sourced from PubChem (CID 603063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).