1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

C84H90O2 — CID 158455237

IUPAC1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
SMILESCOc1cc(C)c(CO)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/3C14H14.2C12H12.C10H14O2.C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-5-10(12-3)8(2)4-9(7)6-11;1-7-3-5-8(2)6-4-7/h3*3-10H,1-2H3;2*3-8H,1-2H3;4-5,11H,6H2,1-3H3;3-6H,1-2H3
InChIKeyHEMIZVOURCOXQI-UHFFFAOYSA-N
MW1131.64 g/mol
LogP22.93
Rot. Bonds5

About 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene

1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (PubChem CID 158455237) has the molecular formula C84H90O2 and a molecular weight of 1131.64 g/mol. Its IUPAC name is 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.

Molecular Properties

Compound Name1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
PubChem CID158455237
Molecular FormulaC84H90O2
Molecular Weight1131.64 g/mol
Exact Mass1130.69
IUPAC Name1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene
SMILESCOc1cc(C)c(CO)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12
InChIInChI=1S/3C14H14.2C12H12.C10H14O2.C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-5-10(12-3)8(2)4-9(7)6-11;1-7-3-5-8(2)6-4-7/h3*3-10H,1-2H3;2*3-8H,1-2H3;4-5,11H,6H2,1-3H3;3-6H,1-2H3
InChIKeyHEMIZVOURCOXQI-UHFFFAOYSA-N
XLogP22.93
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms86
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001131.64
LogP ≤ 522.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene with MolForge

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Related Compounds

anisole;1-methoxy-2-phenylbenzene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;toluene
CID 160602044
1-methylnaphthalene;2-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)naphthalene;1-(4-methylphenyl)naphthalene;toluene
CID 158589771
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CID 162048373
1-methyl-3,5-diphenylbenzene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;2-methyl-6-phenylnaphthalene
CID 157278644
1-methyl-4-phenylnaphthalene;2-(2-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;6-methyl-1-phenylnaphthalene
CID 160584062
ethane;1-methyl-3,5-diphenylbenzene;1-methylnaphthalene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;1-(3-methylphenyl)-3,5-diphenylbenzene;1-methyl-3-(3-phenylphenyl)benzene;toluene
CID 159021382
1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;2-ethyl-1,4-dimethylbenzene;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,2,4,5-tetramethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 160974998
1,3-dimethylnaphthalene;1,4-dimethylnaphthalene;1,5-dimethylnaphthalene;1,6-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)naphthalene;1-methyl-5-(3-methylphenyl)naphthalene;1-methyl-5-(4-methylphenyl)naphthalene;2-methyl-6-(2-methylphenyl)naphthalene;2-methyl-6-(3-methylphenyl)naphthalene;2-methyl-6-(4-methylphenyl)naphthalene;1,2-xylene;1,3-xylene;1,4-xylene
CID 157271950
1-(3-methylphenyl)naphthalene;2-(3-methylphenyl)naphthalene;1-methyl-2-(3-phenylphenyl)benzene;2-[3-[3-(3-methylphenyl)phenyl]phenyl]naphthalene
CID 159203920
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene
CID 70651586
2-methylanthracene;1-methylnaphthalene;2-methylnaphthalene;1-methyl-4-phenylnaphthalene;1-methyl-5-phenylnaphthalene;2-methyl-6-phenylnaphthalene;2-methyl-7-phenylnaphthalene
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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

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The IUPAC name of 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene (CID 158455237) is 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene.
What is the SMILES notation for 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The canonical SMILES for 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is COc1cc(C)c(CO)cc1C.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(-c2cccc(C)c2)cc1.Cc1ccc(-c2ccccc2C)cc1.Cc1ccc(C)cc1.Cc1ccc2cc(C)ccc2c1.Cc1cccc2c(C)cccc12.
What is the InChIKey of 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
The InChIKey is HEMIZVOURCOXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/3C14H14.2C12H12.C10H14O2.C8H10/c1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-11-6-8-13(9-7-11)14-5-3-4-12(2)10-14;1-11-7-9-13(10-8-11)14-6-4-3-5-12(14)2;1-9-3-5-12-8-10(2)4-6-11(12)7-9;1-9-5-3-8-12-10(2)6-4-7-11(9)12;1-7-5-10(12-3)8(2)4-9(7)6-11;1-7-3-5-8(2)6-4-7/h3*3-10H,1-2H3;2*3-8H,1-2H3;4-5,11H,6H2,1-3H3;3-6H,1-2H3.
What are the key properties of 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene?
1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene has a molecular weight of 1131.64 g/mol, XLogP of 22.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylnaphthalene;2,6-dimethylnaphthalene;(4-methoxy-2,5-dimethylphenyl)methanol;1-methyl-2-(4-methylphenyl)benzene;1-methyl-3-(4-methylphenyl)benzene;1-methyl-4-(4-methylphenyl)benzene;1,4-xylene is sourced from PubChem (CID 158455237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).