3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene

C16H18 — CID 143691783

IUPAC3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=C(c2ccccc2C)C=CC(C)C=C1
InChIInChI=1S/C16H18/c1-12-8-10-14(3)16(11-9-12)15-7-5-4-6-13(15)2/h4-12H,1-3H3
InChIKeyUZBLWARSLARUBO-UHFFFAOYSA-N
MW210.32 g/mol
LogP4.53
Rot. Bonds1

About 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene

3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene (PubChem CID 143691783) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene.

Molecular Properties

Compound Name3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
PubChem CID143691783
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene
SMILESCC1=C(c2ccccc2C)C=CC(C)C=C1
InChIInChI=1S/C16H18/c1-12-8-10-14(3)16(11-9-12)15-7-5-4-6-13(15)2/h4-12H,1-3H3
InChIKeyUZBLWARSLARUBO-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 1140
O-Xylene
CID 7237
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Tetralin
CID 8404
P-Cymene
CID 7463
Indene
CID 7219
1,2,4-Trimethylbenzene
CID 7247
Cumene
CID 7406
Butylbenzene
CID 7705
Pentylbenzene
CID 10864

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The IUPAC name of 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene (CID 143691783) is 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene.
What is the SMILES notation for 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The canonical SMILES for 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene is CC1=C(c2ccccc2C)C=CC(C)C=C1.
What is the InChIKey of 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
The InChIKey is UZBLWARSLARUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18/c1-12-8-10-14(3)16(11-9-12)15-7-5-4-6-13(15)2/h4-12H,1-3H3.
What are the key properties of 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene?
3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene has a molecular weight of 210.32 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-4-(2-methylphenyl)cyclohepta-1,3,5-triene is sourced from PubChem (CID 143691783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).