ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene

C110H162 — CID 163847388

IUPACethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2ccccc2C)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C14H14.2C8H10.12C2H6/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;12*1-2/h5*3-10H,1-2H3;2*3-6H,1-2H3;12*1-2H3
InChIKeyORJADULVNBRELR-UHFFFAOYSA-N
MW1484.51 g/mol
LogP36.77
Rot. Bonds5

About ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene

ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene (PubChem CID 163847388) has the molecular formula C110H162 and a molecular weight of 1484.51 g/mol. Its IUPAC name is ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene.

Molecular Properties

Compound Nameethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
PubChem CID163847388
Molecular FormulaC110H162
Molecular Weight1484.51 g/mol
Exact Mass1483.27
IUPAC Nameethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2ccccc2C)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C
InChIInChI=1S/5C14H14.2C8H10.12C2H6/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;12*1-2/h5*3-10H,1-2H3;2*3-6H,1-2H3;12*1-2H3
InChIKeyORJADULVNBRELR-UHFFFAOYSA-N
XLogP36.77
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms110
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001484.51
LogP ≤ 536.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene with MolForge

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Related Compounds

1,3-bis(4-methylphenyl)benzene;1,4-bis(4-methylphenyl)benzene;ethane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene
CID 158847391
1,3-bis(4-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-2-[3-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(4-methylphenyl)phenyl]benzene;1-methyl-3-[3-(4-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1,3-xylene
CID 158071150
methane;1-methyl-2-(2-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 158386869
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
ethane;1-methyl-2-(3-phenylphenyl)benzene;1-methyl-2-(4-phenylphenyl)benzene;1-methyl-3-(2-phenylphenyl)benzene;1-methyl-3-(3-phenylphenyl)benzene;1-methyl-3-(4-phenylphenyl)benzene;1-methyl-4-(3-phenylphenyl)benzene
CID 158292689
1-(2,4-dimethylphenyl)-2,4-dimethylbenzene;1-methyl-2-(2-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene
CID 160676393
1-methyl-2-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(3-phenylphenyl)phenyl]benzene;1-methyl-2-[3-(4-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(4-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(4-phenylphenyl)phenyl]benzene
CID 157433128
1-methyl-2-[3-[4-[2-(3-methylphenyl)phenyl]phenyl]phenyl]benzene
CID 153455101
1,3-dimethyl-5-(3-methylphenyl)benzene;1-methyl-2-(3-methylphenyl)benzene
CID 143743281
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
1,4-bis(3-methylphenyl)benzene;1,2-dimethyl-4-phenylbenzene;2,4-dimethyl-1-phenylbenzene;1-methyl-2-(3-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1-methyl-2-[2-(4-methylphenyl)phenyl]benzene;1-methyl-2-[4-(3-methylphenyl)phenyl]benzene;1-methyl-3-[4-(4-methylphenyl)phenyl]benzene;1-methyl-4-[2-(3-methylphenyl)phenyl]benzene
CID 162149152
1-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346

Frequently Asked Questions

What is the IUPAC name of ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene?
The IUPAC name of ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene (CID 163847388) is ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene.
What is the SMILES notation for ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene?
The canonical SMILES for ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cc1ccc(-c2ccccc2C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(-c2ccccc2C)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.
What is the InChIKey of ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene?
The InChIKey is ORJADULVNBRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/5C14H14.2C8H10.12C2H6/c1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;2*1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-5-8-13(10-11)14-9-4-3-7-12(14)2;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;12*1-2/h5*3-10H,1-2H3;2*3-6H,1-2H3;12*1-2H3.
What are the key properties of ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene?
ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene has a molecular weight of 1484.51 g/mol, XLogP of 36.77, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(1-methyl-2-(2-methylphenyl)benzene);1-methyl-2-(3-methylphenyl)benzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(3-methylphenyl)benzene;1,2-xylene;1,3-xylene is sourced from PubChem (CID 163847388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).