1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene

C15H16 — CID 21263485

IUPAC1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene
SMILESCC(C)=C1CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-9,11H,10H2,1-2H3
InChIKeyWTXAYXHQTCVNGE-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.37
Rot. Bonds1

About 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene

1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene (PubChem CID 21263485) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene.

Molecular Properties

Compound Name1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene
PubChem CID21263485
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene
SMILESCC(C)=C1CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-9,11H,10H2,1-2H3
InChIKeyWTXAYXHQTCVNGE-UHFFFAOYSA-N
XLogP4.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene?
The IUPAC name of 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene (CID 21263485) is 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene.
What is the SMILES notation for 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene?
The canonical SMILES for 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene is CC(C)=C1CC=CC=C1c1ccccc1.
What is the InChIKey of 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene?
The InChIKey is WTXAYXHQTCVNGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12(2)14-10-6-7-11-15(14)13-8-4-3-5-9-13/h3-9,11H,10H2,1-2H3.
What are the key properties of 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene?
1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene has a molecular weight of 196.29 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-6-propan-2-ylidenecyclohexa-1,3-diene is sourced from PubChem (CID 21263485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).