1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene

C89H86O7S — CID 161224298

IUPAC1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
SMILESC.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C26H22O3.2C20H18O2.C14H14S.C8H10.CH4/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22;1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-4-3-5-8(2)6-7;/h3-18H,1-2H3;2*3-14H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;1H4
InChIKeyUXXMPMHWUKJBLC-UHFFFAOYSA-N
MW1299.73 g/mol
LogP26.85
Rot. Bonds16

About 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene

1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene (PubChem CID 161224298) has the molecular formula C89H86O7S and a molecular weight of 1299.73 g/mol. Its IUPAC name is 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene.

Molecular Properties

Compound Name1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
PubChem CID161224298
Molecular FormulaC89H86O7S
Molecular Weight1299.73 g/mol
Exact Mass1298.61
IUPAC Name1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene
SMILESC.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1
InChIInChI=1S/C26H22O3.2C20H18O2.C14H14S.C8H10.CH4/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22;1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-4-3-5-8(2)6-7;/h3-18H,1-2H3;2*3-14H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;1H4
InChIKeyUXXMPMHWUKJBLC-UHFFFAOYSA-N
XLogP26.85
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001299.73
LogP ≤ 526.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene with MolForge

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Related Compounds

methane;bis(1-methyl-4-(4-methylphenoxy)benzene);bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 157430055
1-methyl-4-(4-methylphenoxy)benzene;1,3-xylene;1,4-xylene
CID 159470463
1-methyl-3-(4-methylphenoxy)benzene;1-methyl-2-[2-(2-methylphenyl)ethyl]benzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 164975954
4-[3-[4-(4-methylphenoxy)phenoxy]phenoxy]aniline
CID 174332616
4-[3-[4-[3-(4-methylphenoxy)phenoxy]phenoxy]phenoxy]aniline
CID 174332614
1-methyl-3-[4-[4-(3-methylphenoxy)phenyl]phenoxy]benzene
CID 22967305
1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene
CID 143856903
1-methyl-2-[4-[4-(3-methylphenyl)phenoxy]phenyl]benzene;1-methyl-4-[3-[3-(4-methylphenyl)phenoxy]phenyl]benzene;1-methyl-2-[4-[4-(3-methylphenyl)phenyl]sulfanylphenyl]benzene;1-methyl-3-[4-[3-(4-methylphenyl)phenyl]sulfanylphenyl]benzene;1-methyl-4-[3-[3-(4-methylphenyl)phenyl]sulfanylphenyl]benzene;1-methyl-4-[4-[4-(4-methylphenyl)phenyl]sulfanylphenyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;bis(1-methyl-4-(4-methylphenyl)sulfanylbenzene)
CID 159119776
4-[3-(4-aminophenoxy)phenoxy]aniline;toluene;hydrochloride
CID 70184053
methane;1,3-xylene;1,4-xylene
CID 161051420
carbanide;2,6-dimethylnaphthalene;methane;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;propane;1,3-xylene;bis(1,4-xylene);yttrium
CID 160988336
1-methyl-3-phenoxybenzene;hydrochloride
CID 175116002

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene?
The IUPAC name of 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene (CID 161224298) is 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene.
What is the SMILES notation for 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene?
The canonical SMILES for 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene is C.Cc1ccc(Oc2ccc(Oc3ccc(C)cc3)cc2)cc1.Cc1ccc(Oc2ccc(Oc3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2cccc(Oc3ccc(C)cc3)c2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.
What is the InChIKey of 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene?
The InChIKey is UXXMPMHWUKJBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O3.2C20H18O2.C14H14S.C8H10.CH4/c1-19-3-7-21(8-4-19)27-23-11-15-25(16-12-23)29-26-17-13-24(14-18-26)28-22-9-5-20(2)6-10-22;1-15-3-7-17(8-4-15)21-19-11-13-20(14-12-19)22-18-9-5-16(2)6-10-18;1-15-6-10-17(11-7-15)21-19-4-3-5-20(14-19)22-18-12-8-16(2)9-13-18;1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-7-4-3-5-8(2)6-7;/h3-18H,1-2H3;2*3-14H,1-2H3;3-10H,1-2H3;3-6H,1-2H3;1H4.
What are the key properties of 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene?
1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene has a molecular weight of 1299.73 g/mol, XLogP of 26.85, 16 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methylphenoxy)benzene;1,4-bis(4-methylphenoxy)benzene;methane;1-methyl-4-[4-[4-(4-methylphenoxy)phenoxy]phenoxy]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1,3-xylene is sourced from PubChem (CID 161224298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).