ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene

C22H24 — CID 145328002

IUPACethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
SMILESCC.Cc1cc(C2=CC=CCC=C2)cc(-c2ccccc2)c1
InChIInChI=1S/C20H18.C2H6/c1-16-13-19(17-9-5-2-3-6-10-17)15-20(14-16)18-11-7-4-8-12-18;1-2/h2,4-15H,3H2,1H3;1-2H3
InChIKeyWVOWQRNHWDKSLV-UHFFFAOYSA-N
MW288.43 g/mol
LogP6.59
Rot. Bonds2

About ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene

ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene (PubChem CID 145328002) has the molecular formula C22H24 and a molecular weight of 288.43 g/mol. Its IUPAC name is ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Nameethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
PubChem CID145328002
Molecular FormulaC22H24
Molecular Weight288.43 g/mol
Exact Mass288.19
IUPAC Nameethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene
SMILESCC.Cc1cc(C2=CC=CCC=C2)cc(-c2ccccc2)c1
InChIInChI=1S/C20H18.C2H6/c1-16-13-19(17-9-5-2-3-6-10-17)15-20(14-16)18-11-7-4-8-12-18;1-2/h2,4-15H,3H2,1H3;1-2H3
InChIKeyWVOWQRNHWDKSLV-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-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

Frequently Asked Questions

What is the IUPAC name of ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene (CID 145328002) is ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene is CC.Cc1cc(C2=CC=CCC=C2)cc(-c2ccccc2)c1.
What is the InChIKey of ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is WVOWQRNHWDKSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18.C2H6/c1-16-13-19(17-9-5-2-3-6-10-17)15-20(14-16)18-11-7-4-8-12-18;1-2/h2,4-15H,3H2,1H3;1-2H3.
What are the key properties of ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene?
ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 288.43 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(3-methyl-5-phenylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 145328002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).