1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)

C85H96Cl8O3 — CID 158991939

IUPAC1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)
SMILESCc1c(Cl)cccc1Cl.Cc1cc(Cl)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)cc1Cl.Cc1ccc(O)cc1.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/4C9H12.4C7H6Cl2.3C7H8O/c2*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h4*4-6H,1-3H3;4*2-4H,1H3;3*2-5,8H,1H3
InChIKeyJQGQCSIAODIUBA-UHFFFAOYSA-N
MW1449.32 g/mol
LogP28.76
Rot. Bonds

About 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)

1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) (PubChem CID 158991939) has the molecular formula C85H96Cl8O3 and a molecular weight of 1449.32 g/mol. Its IUPAC name is 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene).

Molecular Properties

Compound Name1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)
PubChem CID158991939
Molecular FormulaC85H96Cl8O3
Molecular Weight1449.32 g/mol
Exact Mass1444.49
IUPAC Name1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)
SMILESCc1c(Cl)cccc1Cl.Cc1cc(Cl)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)cc1Cl.Cc1ccc(O)cc1.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(O)c1.Cc1ccccc1O
InChIInChI=1S/4C9H12.4C7H6Cl2.3C7H8O/c2*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h4*4-6H,1-3H3;4*2-4H,1H3;3*2-5,8H,1H3
InChIKeyJQGQCSIAODIUBA-UHFFFAOYSA-N
XLogP28.76
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms96
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001449.32
LogP ≤ 528.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) with MolForge

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Related Compounds

1,2-dichloro-3-methylbenzene;1-methyl-2-nitrobenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)
CID 157072057
formaldehyde;2-methylphenol;3-methylphenol;4-methylphenol
CID 170853044
1-chloro-2,4-dimethylbenzene;phenol
CID 159221266
1-chloro-2,4-dimethylbenzene;2-chloro-1,4-dimethylbenzene;1,4-dimethylnaphthalene;2,6-dimethylnaphthalene;1-methyl-4-(4-methylphenyl)benzene;1,2,3-trimethylbenzene;bis(1,2,4-trimethylbenzene);1,3-xylene;1,4-xylene
CID 160565395
2-methylphenol;bis(4-methylphenol)
CID 160575641
1-chloro-3-fluoro-5-methylbenzene;2-chloro-4-fluoro-1-methylbenzene;4-chloro-2-fluoro-1-methylbenzene;1-chloro-2-methylbenzene;1-chloro-3-methylbenzene;1-chloro-4-methylbenzene;2-chloro-6-methylphenol;1,3-dichloro-5-methylbenzene;2,4-dichloro-1-methylbenzene;1,2-difluoro-3-methylbenzene;1,3-difluoro-5-methylbenzene;2,4-difluoro-1-methylbenzene;1-(difluoromethyl)-2-methylbenzene;1-fluoro-2,3-dimethylbenzene;1-fluoro-3,5-dimethylbenzene;2-fluoro-1,4-dimethylbenzene;4-fluoro-1,2-dimethylbenzene;1-fluoro-3-methylbenzene;2-fluoro-4-methylphenol;2-fluoro-6-methylphenol;2-methylphenol;toluene;1,2-xylene;1,3-xylene
CID 160838768
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
methane;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3-xylene
CID 158693883
benzene-1,2-diol;4-chloro-3-methylphenol
CID 67381878
1,2,3,5-tetramethylbenzene;1,2,4,5-tetramethylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
CID 159639769
bis(1,2,3,5-tetramethylbenzene);1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,3,5-trimethylbenzene;1,3-xylene
CID 162078013
3-methylphenol;4-methylphenol;propane
CID 157147188

Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)?
The IUPAC name of 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) (CID 158991939) is 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene).
What is the SMILES notation for 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)?
The canonical SMILES for 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) is Cc1c(Cl)cccc1Cl.Cc1cc(Cl)ccc1Cl.Cc1ccc(C)c(C)c1.Cc1ccc(C)c(C)c1.Cc1ccc(Cl)cc1Cl.Cc1ccc(O)cc1.Cc1cccc(C)c1C.Cc1cccc(C)c1C.Cc1cccc(Cl)c1Cl.Cc1cccc(O)c1.Cc1ccccc1O.
What is the InChIKey of 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)?
The InChIKey is JQGQCSIAODIUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/4C9H12.4C7H6Cl2.3C7H8O/c2*1-7-4-5-8(2)9(3)6-7;2*1-7-5-4-6-8(2)9(7)3;1-5-4-6(8)2-3-7(5)9;1-5-2-3-6(8)4-7(5)9;1-5-6(8)3-2-4-7(5)9;1-5-3-2-4-6(8)7(5)9;1-6-2-4-7(8)5-3-6;1-6-3-2-4-7(8)5-6;1-6-4-2-3-5-7(6)8/h4*4-6H,1-3H3;4*2-4H,1H3;3*2-5,8H,1H3.
What are the key properties of 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene)?
1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) has a molecular weight of 1449.32 g/mol, XLogP of 28.76, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-3-methylbenzene;1,3-dichloro-2-methylbenzene;1,4-dichloro-2-methylbenzene;2,4-dichloro-1-methylbenzene;2-methylphenol;3-methylphenol;4-methylphenol;bis(1,2,3-trimethylbenzene);bis(1,2,4-trimethylbenzene) is sourced from PubChem (CID 158991939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).