1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

C136H157Cl6F4N3O2 — CID 157087922

IUPAC1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCCOc1ccc(C)cc1.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1ncccc1Cl
InChIInChI=1S/C9H12O.3C9H12.C8H9Cl.C8H10O.3C8H10.2C7H7Cl.C7H6F2.2C7H7F.C7H8.3C6H6ClN/c1-3-10-9-6-4-8(2)5-7-9;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-3-9-6-4-8(2)5-7-9;1-6-4-3-5-8(9)7(6)2;1-7-3-5-8(9-2)6-4-7;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;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7/h4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-6H,1H3;3*2-4H,1H3
InChIKeyAEHQAPSUTLPYAO-UHFFFAOYSA-N
MW2154.48 g/mol
LogP42.01
Rot. Bonds4

About 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene

1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (PubChem CID 157087922) has the molecular formula C136H157Cl6F4N3O2 and a molecular weight of 2154.48 g/mol. Its IUPAC name is 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.

Molecular Properties

Compound Name1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
PubChem CID157087922
Molecular FormulaC136H157Cl6F4N3O2
Molecular Weight2154.48 g/mol
Exact Mass2150.03
IUPAC Name1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene
SMILESCCOc1ccc(C)cc1.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1ncccc1Cl
InChIInChI=1S/C9H12O.3C9H12.C8H9Cl.C8H10O.3C8H10.2C7H7Cl.C7H6F2.2C7H7F.C7H8.3C6H6ClN/c1-3-10-9-6-4-8(2)5-7-9;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-3-9-6-4-8(2)5-7-9;1-6-4-3-5-8(9)7(6)2;1-7-3-5-8(9-2)6-4-7;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;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7/h4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-6H,1H3;3*2-4H,1H3
InChIKeyAEHQAPSUTLPYAO-UHFFFAOYSA-N
XLogP42.01
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms151
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002154.48
LogP ≤ 542.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene with MolForge

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Related Compounds

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CID 58383459
2-[4-[4-[[4-(4-Chloro-3-fluorophenyl)-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-pentylpyridine
CID 58383549
2-[4-[[4-[4-(4-Chloro-3,5-difluorophenyl)-3-fluorophenyl]-3-fluorophenoxy]-difluoromethyl]-3,5-difluorophenyl]-5-pentylpyridine
CID 58383675
2-Chloro-5-[2-(4-pentylphenyl)ethyl]pyridine;5-[2-(4-ethoxyphenyl)ethyl]-2-(trifluoromethyl)pyridine
CID 88528371
2-Chloro-5-[4-(4-ethoxyphenyl)-2-(4-pentylphenyl)-3-[6-(trifluoromethyl)-3-pyridinyl]butyl]pyridine
CID 88528373
2-[4-Chloro-2-[[2-methyl-4-[4-(trifluoromethoxy)phenyl]phenyl]methoxy]phenyl]pyridine
CID 91502824
3-[4-[2-(2,6-Dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[4-[2-(3-methoxypropyl)-6-methylphenyl]-2-methylphenyl]propan-1-amine;bis(3-[4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl]-2-[6-(2-pentylphenyl)-4-(trifluoromethyl)-3-pyridinyl]propan-1-amine)
CID 123427726
(2S)-1,2-bis(4-chlorophenyl)-N,N'-bis[[1-[2-(2-fluorophenoxy)ethyl]piperidin-4-yl]methyl]-N,N'-dimethyl-1,2-dipyridin-2-ylethane-1,2-diamine
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(2S)-1,2-bis(4-chlorophenyl)-N,N'-dimethyl-1,2-dipyridin-2-yl-N,N'-bis[[1-[2-[4-(trifluoromethyl)phenoxy]ethyl]piperidin-4-yl]methyl]ethane-1,2-diamine
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CID 137423832
CID 137423832
CID 137423909
CID 137423909
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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The IUPAC name of 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene (CID 157087922) is 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene.
What is the SMILES notation for 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The canonical SMILES for 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is CCOc1ccc(C)cc1.CCc1ccc(C)cc1.COc1ccc(C)cc1.Cc1ccc(C)c(C)c1.Cc1ccc(C)cc1.Cc1ccc(Cl)cc1.Cc1ccc(F)cc1.Cc1ccc(F)cc1F.Cc1cccc(C)c1.Cc1cccc(C)c1C.Cc1cccc(Cl)c1C.Cc1ccccc1.Cc1ccccc1C.Cc1ccccc1Cl.Cc1ccccc1F.Cc1cccnc1Cl.Cc1ccncc1Cl.Cc1ncccc1Cl.
What is the InChIKey of 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
The InChIKey is AEHQAPSUTLPYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O.3C9H12.C8H9Cl.C8H10O.3C8H10.2C7H7Cl.C7H6F2.2C7H7F.C7H8.3C6H6ClN/c1-3-10-9-6-4-8(2)5-7-9;1-7-4-5-8(2)9(3)6-7;1-7-5-4-6-8(2)9(7)3;1-3-9-6-4-8(2)5-7-9;1-6-4-3-5-8(9)7(6)2;1-7-3-5-8(9-2)6-4-7;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;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-5-2-3-6(8)4-7(5)9;1-6-2-4-7(8)5-3-6;1-6-4-2-3-5-7(6)8;1-7-5-3-2-4-6-7;1-5-2-3-8-4-6(5)7;1-5-6(7)3-2-4-8-5;1-5-3-2-4-8-6(5)7/h4-7H,3H2,1-2H3;2*4-6H,1-3H3;4-7H,3H2,1-2H3;3-5H,1-2H3;3-6H,1-2H3;3*3-6H,1-2H3;2*2-5H,1H3;2-4H,1H3;2*2-5H,1H3;2-6H,1H3;3*2-4H,1H3.
What are the key properties of 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene?
1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene has a molecular weight of 2154.48 g/mol, XLogP of 42.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,3-dimethylbenzene;1-chloro-2-methylbenzene;1-chloro-4-methylbenzene;2-chloro-3-methylpyridine;3-chloro-2-methylpyridine;3-chloro-4-methylpyridine;2,4-difluoro-1-methylbenzene;1-ethoxy-4-methylbenzene;1-ethyl-4-methylbenzene;1-fluoro-2-methylbenzene;1-fluoro-4-methylbenzene;1-methoxy-4-methylbenzene;toluene;1,2,3-trimethylbenzene;1,2,4-trimethylbenzene;1,2-xylene;1,3-xylene;1,4-xylene is sourced from PubChem (CID 157087922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).