2-phenyl-2-prop-1-en-2-yladamantane

C19H24 — CID 14120413

IUPAC2-phenyl-2-prop-1-en-2-yladamantane
SMILESC=C(C)C1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24/c1-13(2)19(16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(19)10-14/h3-7,14-15,17-18H,1,8-12H2,2H3
InChIKeyKDDRILZDLHKBAT-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.96
Rot. Bonds2

About 2-phenyl-2-prop-1-en-2-yladamantane

2-phenyl-2-prop-1-en-2-yladamantane (PubChem CID 14120413) has the molecular formula C19H24 and a molecular weight of 252.40 g/mol. Its IUPAC name is 2-phenyl-2-prop-1-en-2-yladamantane.

Molecular Properties

Compound Name2-phenyl-2-prop-1-en-2-yladamantane
PubChem CID14120413
Molecular FormulaC19H24
Molecular Weight252.40 g/mol
Exact Mass252.19
IUPAC Name2-phenyl-2-prop-1-en-2-yladamantane
SMILESC=C(C)C1(c2ccccc2)C2CC3CC(C2)CC1C3
InChIInChI=1S/C19H24/c1-13(2)19(16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(19)10-14/h3-7,14-15,17-18H,1,8-12H2,2H3
InChIKeyKDDRILZDLHKBAT-UHFFFAOYSA-N
XLogP4.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-phenyl-2-prop-1-en-2-yladamantane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Fenbutatin oxide
CID 16683004
Triptycene
CID 92764
Abietatriene
CID 6432211
1,1,1-Triphenylethane
CID 78926
1,1,4,4-Tetramethyltetralin
CID 81186
1,4-Dicyclohexylbenzene
CID 70664
1,1,2,2-Tetraphenylethane
CID 136454
p-(1-Adamantyl)toluene
CID 300774
Dehydroabietane
CID 86869
1,3,5(10)-Estratriene
CID 150899
Simonellite
CID 176455
Phenanthrene, 1,2,3,4,4a,9,10,10a-octahydro-1,1,4a-trimethyl-, (4aS,10aS)-
CID 484398

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-prop-1-en-2-yladamantane?
The IUPAC name of 2-phenyl-2-prop-1-en-2-yladamantane (CID 14120413) is 2-phenyl-2-prop-1-en-2-yladamantane.
What is the SMILES notation for 2-phenyl-2-prop-1-en-2-yladamantane?
The canonical SMILES for 2-phenyl-2-prop-1-en-2-yladamantane is C=C(C)C1(c2ccccc2)C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-phenyl-2-prop-1-en-2-yladamantane?
The InChIKey is KDDRILZDLHKBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24/c1-13(2)19(16-6-4-3-5-7-16)17-9-14-8-15(11-17)12-18(19)10-14/h3-7,14-15,17-18H,1,8-12H2,2H3.
What are the key properties of 2-phenyl-2-prop-1-en-2-yladamantane?
2-phenyl-2-prop-1-en-2-yladamantane has a molecular weight of 252.40 g/mol, XLogP of 4.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-prop-1-en-2-yladamantane is sourced from PubChem (CID 14120413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).