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

C81H90 — CID 158386869

IUPACmethane;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
SMILESC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C
InChIInChI=1S/4C14H14.3C8H10.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;/h4*3-10H,1-2H3;3*3-6H,1-2H3;1H4
InChIKeyGWLZGQWFSSSZKF-UHFFFAOYSA-N
MW1063.61 g/mol
LogP23.43
Rot. Bonds4

About 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

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 (PubChem CID 158386869) has the molecular formula C81H90 and a molecular weight of 1063.61 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethane;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
PubChem CID158386869
Molecular FormulaC81H90
Molecular Weight1063.61 g/mol
Exact Mass1062.70
IUPAC Namemethane;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
SMILESC.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C
InChIInChI=1S/4C14H14.3C8H10.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;/h4*3-10H,1-2H3;3*3-6H,1-2H3;1H4
InChIKeyGWLZGQWFSSSZKF-UHFFFAOYSA-N
XLogP23.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms81
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001063.61
LogP ≤ 523.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 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 with MolForge

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Related Compounds

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
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
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
1,2-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
1-(2-methylphenyl)-3,5-diphenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-(4-methylphenyl)-3,5-diphenylbenzene
CID 163934955
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
1,1'-biphenyl;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene
CID 159346959
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
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
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-methyl-2-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892346

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(C)cc1.Cc1cccc(-c2cccc(C)c2)c1.Cc1cccc(C)c1.Cc1ccccc1-c1ccccc1C.Cc1ccccc1C.
What is the InChIKey of 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?
The InChIKey is GWLZGQWFSSSZKF-UHFFFAOYSA-N. The full InChI is InChI=1S/4C14H14.3C8H10.CH4/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-5-3-7-13(9-11)14-8-4-6-12(2)10-14;1-11-7-3-5-9-13(11)14-10-6-4-8-12(14)2;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-7-3-5-8(2)6-4-7;1-7-4-3-5-8(2)6-7;1-7-5-3-4-6-8(7)2;/h4*3-10H,1-2H3;3*3-6H,1-2H3;1H4.
What are the key properties of 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?
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 has a molecular weight of 1063.61 g/mol, XLogP of 23.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158386869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).