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

C15H16 — CID 142063808

IUPAC7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCc1ccc(C2=CC=CC(C)C=C2)cc1
InChIInChI=1S/C15H16/c1-12-4-3-5-14(9-6-12)15-10-7-13(2)8-11-15/h3-12H,1-2H3
InChIKeyDOJUGCQLYKDRTF-UHFFFAOYSA-N
MW196.29 g/mol
LogP4.14
Rot. Bonds1

About 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene

7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 142063808) has the molecular formula C15H16 and a molecular weight of 196.29 g/mol. Its IUPAC name is 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID142063808
Molecular FormulaC15H16
Molecular Weight196.29 g/mol
Exact Mass196.13
IUPAC Name7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene
SMILESCc1ccc(C2=CC=CC(C)C=C2)cc1
InChIInChI=1S/C15H16/c1-12-4-3-5-14(9-6-12)15-10-7-13(2)8-11-15/h3-12H,1-2H3
InChIKeyDOJUGCQLYKDRTF-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-(3,4-dimethylphenyl)-7-methylcyclohepta-1,3,5-triene
CID 153344535
(7R)-7-methyl-3-[(4-methylphenyl)disulfanyl]cyclohepta-1,3,5-triene
CID 130413529
2-chloro-1-[5-(5-methylcyclohepta-1,3,6-trien-1-yl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]ethanone;ethane
CID 177212327
7-[3-(4-methylphenyl)butyl]-3-phenylcyclohepta-1,3,5-triene
CID 143188504
7-methyl-2-phenylcyclohepta-1,3,5-triene;toluene
CID 142553617
acetylene;ethane;1-methyl-2-[3-methyl-1-[3-(3-phenylphenyl)phenyl]but-2-en-2-yl]benzene;7-methyl-3-(4-prop-1-en-2-ylphenyl)cyclohepta-1,3,5-triene
CID 144969393
ethene;5-methylcyclohepta-1,3,6-trien-1-ol
CID 144507325
1-methyl-3-(5-methylcyclohepta-1,3,6-trien-1-yl)indole
CID 142928655
[4-(5-methylcyclohepta-1,3,6-trien-1-yl)cyclohexa-1,3-dien-1-yl]methanamine
CID 142343064
N,N,5-trimethylcyclohepta-1,3,6-trien-1-amine
CID 139382136
4-(4-methylphenyl)-1λ3-iodacyclohexa-1,3,5-triene
CID 163850423
trimethyl-[4-[4-[(1E,3Z,7E)-5-methylcycloocta-1,3,7-trien-1-yl]phenyl]phenyl]silane
CID 174151690

Frequently Asked Questions

What is the IUPAC name of 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene (CID 142063808) is 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene is Cc1ccc(C2=CC=CC(C)C=C2)cc1.
What is the InChIKey of 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is DOJUGCQLYKDRTF-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/h3-12H,1-2H3.
What are the key properties of 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene?
7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 196.29 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-3-(4-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 142063808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).