2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol

C145H193Br2ClF15N5O13S — CID 161249781

IUPAC2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22O.C13H19FO.C11H12ClF3O.C11H12F4.C11H13F3O.C11H14FNO.C11H15FO.C11H16N2O.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyVBCRMTNJXHDORX-UHFFFAOYSA-N
MW2726.46 g/mol
LogP41.14
Rot. Bonds35

About 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol

2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol (PubChem CID 161249781) has the molecular formula C145H193Br2ClF15N5O13S and a molecular weight of 2726.46 g/mol. Its IUPAC name is 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol
PubChem CID161249781
Molecular FormulaC145H193Br2ClF15N5O13S
Molecular Weight2726.46 g/mol
Exact Mass2722.21
IUPAC Name2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol
SMILESCC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.COc1cc(CC(C)C)ccc1F
InChIInChI=1S/C14H22O.C13H19FO.C11H12ClF3O.C11H12F4.C11H13F3O.C11H14FNO.C11H15FO.C11H16N2O.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3
InChIKeyVBCRMTNJXHDORX-UHFFFAOYSA-N
XLogP41.14
TPSA316.31 Ų
H-Bond Donors10
H-Bond Acceptors13
Rotatable Bonds35
Heavy Atoms182
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002726.46
LogP ≤ 541.14
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1013

Analyze 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The IUPAC name of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol (CID 161249781) is 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol.
What is the SMILES notation for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The canonical SMILES for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol is CC(C)Cc1cc(F)cc(F)c1.CC(C)Cc1ccc(Br)c(O)c1.CC(C)Cc1ccc(Cl)c(OC(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(F)(F)F)c1.CC(C)Cc1ccc(F)c(C(N)=O)c1.CC(C)Cc1ccc(F)c(OC(C)C)c1.CC(C)Cc1ccc(O)c(Br)c1.CC(C)Cc1ccc(O)c(C(C)(C)C)c1.CC(C)Cc1ccc(O)c(C(F)(F)F)c1.CC(C)Cc1ccc(O)c(C(N)=O)c1.CC(C)Cc1cccc(NC(N)=O)c1.CC(C)Cc1cccc(NS(C)(=O)=O)c1.COc1cc(CC(C)C)ccc1F.
What is the InChIKey of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol?
The InChIKey is VBCRMTNJXHDORX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O.C13H19FO.C11H12ClF3O.C11H12F4.C11H13F3O.C11H14FNO.C11H15FO.C11H16N2O.C11H17NO2S.C11H15NO2.2C10H13BrO.C10H12F2/c1-10(2)8-11-6-7-13(15)12(9-11)14(3,4)5;1-9(2)7-11-5-6-12(14)13(8-11)15-10(3)4;1-7(2)5-8-3-4-9(12)10(6-8)16-11(13,14)15;1-7(2)5-8-3-4-10(12)9(6-8)11(13,14)15;1-7(2)5-8-3-4-10(15)9(6-8)11(12,13)14;1-7(2)5-8-3-4-10(12)9(6-8)11(13)14;1-8(2)6-9-4-5-10(12)11(7-9)13-3;1-8(2)6-9-4-3-5-10(7-9)13-11(12)14;1-9(2)7-10-5-4-6-11(8-10)12-15(3,13)14;1-7(2)5-8-3-4-10(13)9(6-8)11(12)14;1-7(2)5-8-3-4-10(12)9(11)6-8;1-7(2)5-8-3-4-9(11)10(12)6-8;1-7(2)3-8-4-9(11)6-10(12)5-8/h6-7,9-10,15H,8H2,1-5H3;5-6,8-10H,7H2,1-4H3;3-4,6-7H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3;3-4,6-7,15H,5H2,1-2H3;3-4,6-7H,5H2,1-2H3,(H2,13,14);4-5,7-8H,6H2,1-3H3;3-5,7-8H,6H2,1-2H3,(H3,12,13,14);4-6,8-9,12H,7H2,1-3H3;3-4,6-7,13H,5H2,1-2H3,(H2,12,14);2*3-4,6-7,12H,5H2,1-2H3;4-7H,3H2,1-2H3.
What are the key properties of 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol?
2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol has a molecular weight of 2726.46 g/mol, XLogP of 41.14, 35 rotatable bonds, 10 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(2-methylpropyl)phenol;2-bromo-5-(2-methylpropyl)phenol;2-tert-butyl-4-(2-methylpropyl)phenol;1-chloro-4-(2-methylpropyl)-2-(trifluoromethoxy)benzene;1,3-difluoro-5-(2-methylpropyl)benzene;1-fluoro-2-methoxy-4-(2-methylpropyl)benzene;2-fluoro-5-(2-methylpropyl)benzamide;1-fluoro-4-(2-methylpropyl)-2-propan-2-yloxybenzene;1-fluoro-4-(2-methylpropyl)-2-(trifluoromethyl)benzene;2-hydroxy-5-(2-methylpropyl)benzamide;N-[3-(2-methylpropyl)phenyl]methanesulfonamide;[3-(2-methylpropyl)phenyl]urea;4-(2-methylpropyl)-2-(trifluoromethyl)phenol is sourced from PubChem (CID 161249781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).