ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene

C23H24 — CID 144980545

IUPACethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC.Cc1ccccc1-c1ccccc1-c1ccc2c(c1)CC2
InChIInChI=1S/C21H18.C2H6/c1-15-6-2-3-7-19(15)21-9-5-4-8-20(21)18-13-11-16-10-12-17(16)14-18;1-2/h2-9,11,13-14H,10,12H2,1H3;1-2H3
InChIKeyFFAOCPITILYNKZ-UHFFFAOYSA-N
MW300.45 g/mol
LogP6.45
Rot. Bonds2

About ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene

ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene (PubChem CID 144980545) has the molecular formula C23H24 and a molecular weight of 300.45 g/mol. Its IUPAC name is ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene.

Molecular Properties

Compound Nameethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
PubChem CID144980545
Molecular FormulaC23H24
Molecular Weight300.45 g/mol
Exact Mass300.19
IUPAC Nameethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene
SMILESCC.Cc1ccccc1-c1ccccc1-c1ccc2c(c1)CC2
InChIInChI=1S/C21H18.C2H6/c1-15-6-2-3-7-19(15)21-9-5-4-8-20(21)18-13-11-16-10-12-17(16)14-18;1-2/h2-9,11,13-14H,10,12H2,1H3;1-2H3
InChIKeyFFAOCPITILYNKZ-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.45
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-[2-[4-(2-methylphenyl)phenyl]phenyl]benzene
CID 58892394
5-(2,3-dimethylphenyl)-2,3-dihydro-1H-indene
CID 173291568
(2R)-5-[2-methyl-3-(2-methylphenyl)phenyl]-2,3-dihydro-1H-inden-2-amine
CID 172834225
1,4-bis[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)benzene
CID 59609351
ethane;1,3,5-tris(2-methylphenyl)benzene
CID 157145659
3-[2-(2-methylphenyl)phenyl]aniline
CID 174293524
4-(2-methylphenyl)-1,2-diphenylbenzene
CID 59171693
1-methyl-2-[4-(2-phenylphenyl)phenyl]benzene
CID 58390061
5-(2-chloro-6-methylphenyl)-2,3-dihydro-1H-indene
CID 66253158
1,2-bis(3-methylphenyl)benzene;1,3-bis(3-methylphenyl)benzene;1-methyl-2-[2-(3-methylphenyl)phenyl]benzene;1-methyl-2-[3-(3-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162017354
2-[8-(2-methylphenyl)-9H-fluoren-1-yl]triphenylene
CID 157108614
1-methyl-4-[2-methyl-3-(2-methylphenyl)phenyl]-2-(2-methylphenyl)benzene
CID 144952887

Frequently Asked Questions

What is the IUPAC name of ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The IUPAC name of ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene (CID 144980545) is ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene.
What is the SMILES notation for ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The canonical SMILES for ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene is CC.Cc1ccccc1-c1ccccc1-c1ccc2c(c1)CC2.
What is the InChIKey of ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
The InChIKey is FFAOCPITILYNKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18.C2H6/c1-15-6-2-3-7-19(15)21-9-5-4-8-20(21)18-13-11-16-10-12-17(16)14-18;1-2/h2-9,11,13-14H,10,12H2,1H3;1-2H3.
What are the key properties of ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene?
ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene has a molecular weight of 300.45 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[2-(2-methylphenyl)phenyl]bicyclo[4.2.0]octa-1(6),2,4-triene is sourced from PubChem (CID 144980545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).