2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene

C21H20 — CID 143326250

IUPAC2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=C(c2ccc(-c3ccc(C)cc3)cc2)C2CC12
InChIInChI=1S/C21H20/c1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)20-13-21(19)20/h3-12,20-21H,13H2,1-2H3
InChIKeyXCOHBJZZFUBUBL-UHFFFAOYSA-N
MW272.39 g/mol
LogP5.64
Rot. Bonds2

About 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene

2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene (PubChem CID 143326250) has the molecular formula C21H20 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene.

Molecular Properties

Compound Name2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene
PubChem CID143326250
Molecular FormulaC21H20
Molecular Weight272.39 g/mol
Exact Mass272.16
IUPAC Name2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene
SMILESCC1=CC=C(c2ccc(-c3ccc(C)cc3)cc2)C2CC12
InChIInChI=1S/C21H20/c1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)20-13-21(19)20/h3-12,20-21H,13H2,1-2H3
InChIKeyXCOHBJZZFUBUBL-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.39
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-methyl-5-[4-[4-(4-methylphenyl)phenyl]phenyl]bicyclo[4.1.0]hepta-2,4-diene
CID 164596184
2-(5-methyl-2-bicyclo[4.1.0]hepta-2,4-dienyl)-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 143031996
4-methyl-7-(4-methylphenyl)-3a,7a-dihydro-1,3-benzodioxole
CID 89448846
5-methylbicyclo[4.1.0]hepta-2,4-dien-2-amine
CID 138614470
benzene;ethane;1-methyl-4-(4-methylphenyl)benzene
CID 161197560
1-methyl-4-[4-[4-(4-methylphenyl)cyclohexyl]phenyl]benzene
CID 59265320
ethane;1,3,5-tris(4-methylphenyl)benzene
CID 91508266
1-methyl-4-[(1R,2R)-2-(4-methylphenyl)cyclobutyl]benzene
CID 15556691
platinum;1,4-xylene
CID 173034643
cobalt;bis(1,4-xylene)
CID 67859603
methane;pentakis(1,4-xylene)
CID 160760083
(1S,5S)-3-(4-methylphenyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 7100139

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The IUPAC name of 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene (CID 143326250) is 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene.
What is the SMILES notation for 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The canonical SMILES for 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene is CC1=CC=C(c2ccc(-c3ccc(C)cc3)cc2)C2CC12.
What is the InChIKey of 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene?
The InChIKey is XCOHBJZZFUBUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20/c1-14-3-6-16(7-4-14)17-8-10-18(11-9-17)19-12-5-15(2)20-13-21(19)20/h3-12,20-21H,13H2,1-2H3.
What are the key properties of 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene?
2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene has a molecular weight of 272.39 g/mol, XLogP of 5.64, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[4-(4-methylphenyl)phenyl]bicyclo[4.1.0]hepta-2,4-diene is sourced from PubChem (CID 143326250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).