1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene

C15H16 — CID 123336258

IUPAC1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(c2ccc(C)cc2)C=CC1
InChIInChI=1S/C15H16/c1-12-4-3-5-14(9-6-12)15-10-7-13(2)8-11-15/h3,5-11H,4H2,1-2H3
InChIKeyAQTGVNMBYOYJJK-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds1

About 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene

1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 123336258) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID123336258
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=CC=C(c2ccc(C)cc2)C=CC1
InChIInChI=1S/C15H16/c1-12-4-3-5-14(9-6-12)15-10-7-13(2)8-11-15/h3,5-11H,4H2,1-2H3
InChIKeyAQTGVNMBYOYJJK-UHFFFAOYSA-N
XLogP4.28
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 ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene (CID 123336258) is 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene is CC1=CC=C(c2ccc(C)cc2)C=CC1.
What is the InChIKey of 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is AQTGVNMBYOYJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12-4-3-5-14(9-6-12)15-10-7-13(2)8-11-15/h3,5-11H,4H2,1-2H3.
What are the key properties of 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 4.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 123336258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).