1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene

C15H18 — CID 123635487

IUPAC1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene
SMILESCC1=CC=C(c2ccccc2C)CCC1
InChIInChI=1S/C15H18/c1-12-6-5-8-14(11-10-12)15-9-4-3-7-13(15)2/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyKEHKDBIFFLQERF-UHFFFAOYSA-N
MW198.31 g/mol
LogP4.51
Rot. Bonds1

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

1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene (PubChem CID 123635487) has the molecular formula C15H18 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene.

Molecular Properties

Compound Name1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene
PubChem CID123635487
Molecular FormulaC15H18
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene
SMILESCC1=CC=C(c2ccccc2C)CCC1
InChIInChI=1S/C15H18/c1-12-6-5-8-14(11-10-12)15-9-4-3-7-13(15)2/h3-4,7,9-11H,5-6,8H2,1-2H3
InChIKeyKEHKDBIFFLQERF-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene?
The IUPAC name of 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene (CID 123635487) is 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene.
What is the SMILES notation for 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene?
The canonical SMILES for 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene is CC1=CC=C(c2ccccc2C)CCC1.
What is the InChIKey of 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene?
The InChIKey is KEHKDBIFFLQERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18/c1-12-6-5-8-14(11-10-12)15-9-4-3-7-13(15)2/h3-4,7,9-11H,5-6,8H2,1-2H3.
What are the key properties of 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene?
1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene has a molecular weight of 198.31 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-methylphenyl)cyclohepta-1,3-diene is sourced from PubChem (CID 123635487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).