7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene

C15H16 — CID 154506078

IUPAC7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16/c1-15(2)12-8-4-7-11-14(15)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyASEOFUXYJNMJCO-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.22
Rot. Bonds1

About 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene

7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene (PubChem CID 154506078) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene
PubChem CID154506078
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene
SMILESCC1(C)C=CC=CC=C1c1ccccc1
InChIInChI=1S/C15H16/c1-15(2)12-8-4-7-11-14(15)13-9-5-3-6-10-13/h3-12H,1-2H3
InChIKeyASEOFUXYJNMJCO-UHFFFAOYSA-N
XLogP4.22
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 ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene 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

(5,5-dimethylcyclopenta-1,3-dien-1-yl)benzene
CID 140580358
(4S)-1,4-dimethyl-2,5-diphenylbicyclo[2.2.2]octa-2,5-diene
CID 134946237
2,2,3-triphenylpyran
CID 69120623
1-methyl-2-phenylcyclohexa-2,4-diene-1-carbaldehyde
CID 71317478
3a-(4-bromophenyl)-1-phenyl-3-propan-2-ylideneazulene
CID 102422740
(3aR,6aR)-3a,6a-dimethyl-3,6-diphenyl-1,4-dihydropentalene
CID 11837589
(5,5-dimethylcyclopenta-1,3-dien-1-yl)methylbenzene
CID 159527718
6-phenylcyclohexa-3,5-diene-1,1,2-triol
CID 45092919
2-(1-hydroxy-2-phenylcyclohexa-2,4-dien-1-yl)phenol
CID 70208336
1-(methylamino)-2-phenylcyclohexa-2,4-dien-1-ol
CID 175545397
2-phenyl-8a-[2-tri(propan-2-yl)silylethynyl]azulene-1,1-dicarbonitrile
CID 132918918
benzene;1,1'-biphenyl;ethane
CID 158550617

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene?
The IUPAC name of 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene (CID 154506078) is 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene?
The canonical SMILES for 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene is CC1(C)C=CC=CC=C1c1ccccc1.
What is the InChIKey of 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene?
The InChIKey is ASEOFUXYJNMJCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-15(2)12-8-4-7-11-14(15)13-9-5-3-6-10-13/h3-12H,1-2H3.
What are the key properties of 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene?
7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 4.22, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-1-phenylcyclohepta-1,3,5-triene is sourced from PubChem (CID 154506078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).