1-(4-propan-2-ylphenyl)adamantane

C19H26 — CID 536620

IUPAC1-(4-propan-2-ylphenyl)adamantane
SMILESCC(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26/c1-13(2)17-3-5-18(6-4-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h3-6,13-16H,7-12H2,1-2H3
InChIKeyBCWATDFZPIEIIL-UHFFFAOYSA-N
MW254.42 g/mol
LogP5.28
Rot. Bonds2

About 1-(4-propan-2-ylphenyl)adamantane

1-(4-propan-2-ylphenyl)adamantane (PubChem CID 536620) has the molecular formula C19H26 and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-(4-propan-2-ylphenyl)adamantane.

Molecular Properties

Compound Name1-(4-propan-2-ylphenyl)adamantane
PubChem CID536620
Molecular FormulaC19H26
Molecular Weight254.42 g/mol
Exact Mass254.20
IUPAC Name1-(4-propan-2-ylphenyl)adamantane
SMILESCC(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C19H26/c1-13(2)17-3-5-18(6-4-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h3-6,13-16H,7-12H2,1-2H3
InChIKeyBCWATDFZPIEIIL-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500254.42
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylphenyl)adamantane?
The IUPAC name of 1-(4-propan-2-ylphenyl)adamantane (CID 536620) is 1-(4-propan-2-ylphenyl)adamantane.
What is the SMILES notation for 1-(4-propan-2-ylphenyl)adamantane?
The canonical SMILES for 1-(4-propan-2-ylphenyl)adamantane is CC(C)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-(4-propan-2-ylphenyl)adamantane?
The InChIKey is BCWATDFZPIEIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26/c1-13(2)17-3-5-18(6-4-17)19-10-14-7-15(11-19)9-16(8-14)12-19/h3-6,13-16H,7-12H2,1-2H3.
What are the key properties of 1-(4-propan-2-ylphenyl)adamantane?
1-(4-propan-2-ylphenyl)adamantane has a molecular weight of 254.42 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylphenyl)adamantane is sourced from PubChem (CID 536620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).