1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene

C142H195Cl3F12O9 — CID 157187156

IUPAC1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OC(F)F)c(F)c1.CC(C)(C)c1ccc(OC2CCCC2)cc1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1ccccc1Cl.CC(C)COc1ccc(C(C)(C)C)cc1F.COc1cc(C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23FO.C15H22O.C14H21FO.C12H15F3O.C12H18O.C11H12F4O.C11H13F3O.2C11H16O.3C10H13Cl/c1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-15(2,3)12-8-10-14(11-9-12)16-13-6-4-5-7-13;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-11(2,3)7-4-5-9(8(12)6-7)15-10(13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-9H,10H2,1-6H3;8-11,13H,4-7H2,1-3H3;6-8,10H,9H2,1-5H3;4-6,11H,7H2,1-3H3;6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;2*5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyAPGHRKULYLKGLQ-UHFFFAOYSA-N
MW2380.45 g/mol
LogP44.72
Rot. Bonds16

About 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene

1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene (PubChem CID 157187156) has the molecular formula C142H195Cl3F12O9 and a molecular weight of 2380.45 g/mol. Its IUPAC name is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene
PubChem CID157187156
Molecular FormulaC142H195Cl3F12O9
Molecular Weight2380.45 g/mol
Exact Mass2377.37
IUPAC Name1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene
SMILESCC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OC(F)F)c(F)c1.CC(C)(C)c1ccc(OC2CCCC2)cc1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1ccccc1Cl.CC(C)COc1ccc(C(C)(C)C)cc1F.COc1cc(C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1
InChIInChI=1S/C15H23FO.C15H22O.C14H21FO.C12H15F3O.C12H18O.C11H12F4O.C11H13F3O.2C11H16O.3C10H13Cl/c1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-15(2,3)12-8-10-14(11-9-12)16-13-6-4-5-7-13;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-11(2,3)7-4-5-9(8(12)6-7)15-10(13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-9H,10H2,1-6H3;8-11,13H,4-7H2,1-3H3;6-8,10H,9H2,1-5H3;4-6,11H,7H2,1-3H3;6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;2*5-8H,1-4H3;3*4-7H,1-3H3
InChIKeyAPGHRKULYLKGLQ-UHFFFAOYSA-N
XLogP44.72
TPSA83.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms166
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002380.45
LogP ≤ 544.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene with MolForge

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Related Compounds

1-Chloro-4-[1-[2-(4-chlorophenyl)-4-[2-(2-fluoroethoxy)phenyl]-2-methylbutoxy]-4-[2-(2-fluoroethoxy)phenyl]-2-methylbutan-2-yl]benzene
CID 20259266
1-Chloro-4-[1-[2-(4-chlorophenyl)-4-[3-(2-fluoroethoxy)phenyl]-2-methylbutoxy]-4-[3-(2-fluoroethoxy)phenyl]-2-methylbutan-2-yl]benzene
CID 57076067
1-Chloro-4-[4-[3-[4-[4-(difluoromethoxy)phenyl]phenyl]-3-(4-ethoxyphenyl)-2-(4-pentylphenyl)butyl]phenyl]-2-fluorobenzene
CID 57079591
2-Chloro-5-[4-[difluoro-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorophenyl]-1,3-difluorobenzene
CID 57996240
1-(4-Chlorophenyl)-4-[difluoro-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorobenzene
CID 57996259
1-Chloro-4-[4-[difluoro-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]phenyl]-2-fluorobenzene
CID 57996378
1-Chloro-4-[4-[difluoro-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorophenyl]-2-fluorobenzene
CID 57996380
1-(4-Chlorophenyl)-4-[difluoro-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorobenzene
CID 57996522
2-Chloro-5-[4-[difluoro-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-2-fluorophenyl]-1,3-difluorobenzene
CID 57996682
2-(4-Chloro-3-fluorophenyl)-5-[difluoro-[4-[4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-1,3-difluorobenzene
CID 57996714
2-(4-Chloro-3-fluorophenyl)-5-[difluoro-[4-[2-fluoro-4-(4-pentylcyclohexyl)phenyl]cyclohexyl]methoxy]-1,3-difluorobenzene
CID 57996817
1-chloro-2-[4-[(E)-3,3-difluoro-3-[3-fluoro-4-(3,4,5-trifluorophenyl)phenoxy]prop-1-enyl]-3,5-difluorophenyl]-3-fluoro-5-(4-pentylphenyl)benzene
CID 58077436

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene?
The IUPAC name of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene (CID 157187156) is 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene is CC(C)(C)COc1ccc(C(C)(C)C)cc1F.CC(C)(C)c1ccc(Cl)cc1.CC(C)(C)c1ccc(OC(F)(F)F)c(F)c1.CC(C)(C)c1ccc(OC(F)F)c(F)c1.CC(C)(C)c1ccc(OC2CCCC2)cc1.CC(C)(C)c1ccc(OCC(F)F)c(F)c1.CC(C)(C)c1cccc(Cl)c1.CC(C)(C)c1ccccc1Cl.CC(C)COc1ccc(C(C)(C)C)cc1F.COc1cc(C)ccc1C(C)(C)C.COc1ccc(C(C)(C)C)cc1.COc1cccc(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene?
The InChIKey is APGHRKULYLKGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FO.C15H22O.C14H21FO.C12H15F3O.C12H18O.C11H12F4O.C11H13F3O.2C11H16O.3C10H13Cl/c1-14(2,3)10-17-13-8-7-11(9-12(13)16)15(4,5)6;1-15(2,3)12-8-10-14(11-9-12)16-13-6-4-5-7-13;1-10(2)9-16-13-7-6-11(8-12(13)15)14(3,4)5;1-12(2,3)8-4-5-10(9(13)6-8)16-7-11(14)15;1-9-6-7-10(12(2,3)4)11(8-9)13-5;1-10(2,3)7-4-5-9(8(12)6-7)16-11(13,14)15;1-11(2,3)7-4-5-9(8(12)6-7)15-10(13)14;1-11(2,3)9-5-7-10(12-4)8-6-9;1-11(2,3)9-6-5-7-10(8-9)12-4;1-10(2,3)8-4-6-9(11)7-5-8;1-10(2,3)8-5-4-6-9(11)7-8;1-10(2,3)8-6-4-5-7-9(8)11/h7-9H,10H2,1-6H3;8-11,13H,4-7H2,1-3H3;6-8,10H,9H2,1-5H3;4-6,11H,7H2,1-3H3;6-8H,1-5H3;4-6H,1-3H3;4-6,10H,1-3H3;2*5-8H,1-4H3;3*4-7H,1-3H3.
What are the key properties of 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene?
1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene has a molecular weight of 2380.45 g/mol, XLogP of 44.72, 16 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chlorobenzene;1-tert-butyl-3-chlorobenzene;1-tert-butyl-4-chlorobenzene;1-tert-butyl-4-cyclopentyloxybenzene;4-tert-butyl-1-(2,2-difluoroethoxy)-2-fluorobenzene;4-tert-butyl-1-(difluoromethoxy)-2-fluorobenzene;4-tert-butyl-1-(2,2-dimethylpropoxy)-2-fluorobenzene;4-tert-butyl-2-fluoro-1-(2-methylpropoxy)benzene;4-tert-butyl-2-fluoro-1-(trifluoromethoxy)benzene;1-tert-butyl-3-methoxybenzene;1-tert-butyl-4-methoxybenzene;1-tert-butyl-2-methoxy-4-methylbenzene is sourced from PubChem (CID 157187156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).