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

C15H16 — CID 142835495

IUPAC3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=C(c2ccccc2C)C=CCC=C1
InChIInChI=1S/C15H16/c1-12-8-4-3-5-10-14(12)15-11-7-6-9-13(15)2/h4-11H,3H2,1-2H3
InChIKeyXULNCTUMCKVWIS-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.28
Rot. Bonds1

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

3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 142835495) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID142835495
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=C(c2ccccc2C)C=CCC=C1
InChIInChI=1S/C15H16/c1-12-8-4-3-5-10-14(12)15-11-7-6-9-13(15)2/h4-11H,3H2,1-2H3
InChIKeyXULNCTUMCKVWIS-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

8H-cyclohepta[b]naphthalene-5,11-dione
CID 142997660
3-cyclopropyl-2-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene;ethane
CID 143232172
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
CID 143691783
ethene;1-methyl-2-(2-methylphenyl)benzene
CID 145078997
5-methyl-8H-benzo[7]annulene
CID 142246381
1-(2,6-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 142215714
5-[7-methyl-6-(2-methylphenyl)cyclohepta-1,4,6-trien-1-yl]tetracyclo[12.5.0.02,7.08,13]nonadeca-1(14),2(7),3,5,8,10,12,15,18-nonaene
CID 143761270
ethane;10,10'-spirobi[7H-benzo[a]azulene]
CID 168937553
dimethylsilane;1-methyl-2-(2-methylphenyl)benzene
CID 162166796
1,5-dimethyl-8H-benzo[7]annulene
CID 142219384
1-(2,5-dimethylcyclohexa-1,3-dien-1-yl)-2-methylbenzene
CID 143793879
6-methyl-8-propan-2-yl-3,8-dihydrocyclohepta[d][3]benzazepin-7-one
CID 142058260

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene (CID 142835495) is 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene is CC1=C(c2ccccc2C)C=CCC=C1.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is XULNCTUMCKVWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16/c1-12-8-4-3-5-10-14(12)15-11-7-6-9-13(15)2/h4-11H,3H2,1-2H3.
What are the key properties of 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
3-methyl-4-(2-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 3-methyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142835495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).