3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene

C16H18 — CID 153344535

IUPAC3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
SMILESCc1ccc(C2=CC=CC(C)C=C2)cc1C
InChIInChI=1S/C16H18/c1-12-5-4-6-15(9-7-12)16-10-8-13(2)14(3)11-16/h4-12H,1-3H3
InChIKeyVRFSHDNGYSFJMV-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.45
Rot. Bonds1

About 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene

3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene (PubChem CID 153344535) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
PubChem CID153344535
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
SMILESCc1ccc(C2=CC=CC(C)C=C2)cc1C
InChIInChI=1S/C16H18/c1-12-5-4-6-15(9-7-12)16-10-8-13(2)14(3)11-16/h4-12H,1-3H3
InChIKeyVRFSHDNGYSFJMV-UHFFFAOYSA-N
XLogP4.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene?
The IUPAC name of 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene (CID 153344535) is 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene?
The canonical SMILES for 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene is Cc1ccc(C2=CC=CC(C)C=C2)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene?
The InChIKey is VRFSHDNGYSFJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-5-4-6-15(9-7-12)16-10-8-13(2)14(3)11-16/h4-12H,1-3H3.
What are the key properties of 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene?
3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene has a molecular weight of 210.32 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene is sourced from PubChem (CID 153344535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).