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

C15H16 — CID 142804682

IUPAC2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=CCC=CC(c2ccc(C)cc2)=C1
InChIInChI=1S/C15H16/c1-12-7-9-14(10-8-12)15-6-4-3-5-13(2)11-15/h4-11H,3H2,1-2H3
InChIKeyNIHHMGRQJLRHTK-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds1

About 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene

2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 142804682) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID142804682
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=CCC=CC(c2ccc(C)cc2)=C1
InChIInChI=1S/C15H16/c1-12-7-9-14(10-8-12)15-6-4-3-5-13(2)11-15/h4-11H,3H2,1-2H3
InChIKeyNIHHMGRQJLRHTK-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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Related Compounds

4-bromo-2-methylcyclohepta-1,3,5-triene
CID 143463506
1-tert-butyl-4-cyclopenta-1,4-dien-1-ylbenzene
CID 19103892
1-cyclopenta-1,4-dien-1-yl-4-(2-methylpropyl)benzene
CID 147554829
1-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene
CID 123336258
N-[4-[(1E,7Z)-cycloocta-1,7-dien-4-yn-1-yl]phenyl]-N,4-dimethylaniline
CID 145303081
2,5-dimethylcyclohepta-1,3,5-triene;propane;1,1,1-trifluoroethane;1,4-xylene
CID 143365168
acetaldehyde;1-cyclohexa-1,5-dien-1-yl-4-methylbenzene;propane
CID 168915570
2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]cyclohepta-1,3,5-triene
CID 143376296
ethane;methane;1-methylcyclopenta-1,3-diene;2-methylcyclopenta-1,3-diene;toluene
CID 159843213
2-(4-cyclohepta-1,4,6-trien-1-ylphenyl)-4-(4-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 144705647
2-[1-methyl-4-(4-methylphenyl)cyclohexa-2,4-dien-1-yl]-1,3-benzoxazole
CID 90816110
1-cyclopenta-1,4-dien-1-yl-4-propan-2-ylbenzene;3-methyl-4-methylidenecyclobut-2-en-1-one;4-methylpyridine
CID 143748151

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene (CID 142804682) is 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene is CC1=CCC=CC(c2ccc(C)cc2)=C1.
What is the InChIKey of 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is NIHHMGRQJLRHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12-7-9-14(10-8-12)15-6-4-3-5-13(2)11-15/h4-11H,3H2,1-2H3.
What are the key properties of 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene?
2-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 2-methyl-4-(4-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142804682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).