4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene

C127H174ClF15O10 — CID 158281121

IUPAC4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(C)COc1cc(C(C)(C)C)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OCC(F)F)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(O)COc1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H23FO.C14H19ClO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-9-11(15(4,5)6)7-8-12(13)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-13(2,3)10-6-7-11(15)12(8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-11(2,3)8-4-5-9(13)10(6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,10H,4-5,9H2,1-3H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3
InChIKeyGKFKMFUSXNAZKW-UHFFFAOYSA-N
MW2181.20 g/mol
LogP37.78
Rot. Bonds25

About 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene

4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene (PubChem CID 158281121) has the molecular formula C127H174ClF15O10 and a molecular weight of 2181.20 g/mol. Its IUPAC name is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene.

Molecular Properties

Compound Name4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene
PubChem CID158281121
Molecular FormulaC127H174ClF15O10
Molecular Weight2181.20 g/mol
Exact Mass2179.26
IUPAC Name4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene
SMILESCC(C)(C)COc1cc(C(C)(C)C)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OCC(F)F)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(O)COc1cc(C(C)(C)C)ccc1F
InChIInChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H23FO.C14H19ClO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-9-11(15(4,5)6)7-8-12(13)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-13(2,3)10-6-7-11(15)12(8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-11(2,3)8-4-5-9(13)10(6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,10H,4-5,9H2,1-3H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3
InChIKeyGKFKMFUSXNAZKW-UHFFFAOYSA-N
XLogP37.78
TPSA103.30 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds25
Heavy Atoms153
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002181.20
LogP ≤ 537.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene?
The IUPAC name of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene (CID 158281121) is 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene.
What is the SMILES notation for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene?
The canonical SMILES for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene is CC(C)(C)COc1cc(C(C)(C)C)ccc1F.CC(C)(C)c1ccc(C(F)(F)F)c(OCC2CC2)c1.CC(C)(C)c1ccc(Cl)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC(F)(F)F)c1.CC(C)(C)c1ccc(F)c(OCC(F)F)c1.CC(C)(C)c1ccc(F)c(OCC2CC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCC2)c1.CC(C)(C)c1ccc(F)c(OCC2CCCC2)c1.CC(C)(O)COc1cc(C(C)(C)C)ccc1F.
What is the InChIKey of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene?
The InChIKey is GKFKMFUSXNAZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO.C15H19F3O.C15H21FO.C15H23FO.C14H19ClO.C14H21FO2.C14H19FO.C12H14F4O.C12H15F3O/c1-16(2,3)13-8-9-14(17)15(10-13)18-11-12-6-4-5-7-12;1-14(2,3)11-6-7-12(15(16,17)18)13(8-11)19-9-10-4-5-10;1-15(2,3)12-7-8-13(16)14(9-12)17-10-11-5-4-6-11;1-14(2,3)10-17-13-9-11(15(4,5)6)7-8-12(13)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-13(2,3)10-6-7-11(15)12(8-10)17-9-14(4,5)16;1-14(2,3)11-6-7-12(15)13(8-11)16-9-10-4-5-10;1-11(2,3)8-4-5-9(13)10(6-8)17-7-12(14,15)16;1-12(2,3)8-4-5-9(13)10(6-8)16-7-11(14)15/h8-10,12H,4-7,11H2,1-3H3;6-8,10H,4-5,9H2,1-3H3;7-9,11H,4-6,10H2,1-3H3;7-9H,10H2,1-6H3;6-8,10H,4-5,9H2,1-3H3;6-8,16H,9H2,1-5H3;6-8,10H,4-5,9H2,1-3H3;4-6H,7H2,1-3H3;4-6,11H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene?
4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene has a molecular weight of 2181.20 g/mol, XLogP of 37.78, 25 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-chloro-2-(cyclopropylmethoxy)benzene;4-tert-butyl-2-(cyclobutylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopentylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-fluorobenzene;4-tert-butyl-2-(cyclopropylmethoxy)-1-(trifluoromethyl)benzene;4-tert-butyl-2-(2,2-difluoroethoxy)-1-fluorobenzene;4-tert-butyl-2-(2,2-dimethylpropoxy)-1-fluorobenzene;1-(5-tert-butyl-2-fluorophenoxy)-2-methylpropan-2-ol;4-tert-butyl-1-fluoro-2-(2,2,2-trifluoroethoxy)benzene is sourced from PubChem (CID 158281121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).