(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone

C134H140BrCl6F6I3O14 — CID 159052881

IUPAC(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)c2c(Cl)cccc2Cl)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2c(F)cccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Br)ccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(I)ccc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(C(F)(F)F)cc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(Cl)cc2Cl)cc(C(C)C)c1O
InChIInChI=1S/C20H20F4O2.C19H20BrIO2.3C19H20Cl2O2.2C19H20FIO2/c1-10(2)15-7-12(8-16(11(3)4)19(15)26)18(25)14-6-5-13(9-17(14)21)20(22,23)24;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(20)5-6-17(16)21;1-10(2)16-7-13(8-17(11(3)4)19(16)23)18(22)12-5-14(20)9-15(21)6-12;1-10(2)15-7-12(8-16(11(3)4)19(15)23)18(22)14-6-5-13(20)9-17(14)21;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(21)5-6-17(16)20;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21/h5-11,26H,1-4H3;6*5-11,23H,1-4H3
InChIKeyJXMKECJUZZVROK-UHFFFAOYSA-N
MW2761.90 g/mol
LogP42.02
Rot. Bonds28

About (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone

(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone (PubChem CID 159052881) has the molecular formula C134H140BrCl6F6I3O14 and a molecular weight of 2761.90 g/mol. Its IUPAC name is (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone.

Molecular Properties

Compound Name(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
PubChem CID159052881
Molecular FormulaC134H140BrCl6F6I3O14
Molecular Weight2761.90 g/mol
Exact Mass2756.46
IUPAC Name(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone
SMILESCC(C)c1cc(C(=O)c2c(Cl)cccc2Cl)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2c(F)cccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Br)ccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(I)ccc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(C(F)(F)F)cc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(Cl)cc2Cl)cc(C(C)C)c1O
InChIInChI=1S/C20H20F4O2.C19H20BrIO2.3C19H20Cl2O2.2C19H20FIO2/c1-10(2)15-7-12(8-16(11(3)4)19(15)26)18(25)14-6-5-13(9-17(14)21)20(22,23)24;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(20)5-6-17(16)21;1-10(2)16-7-13(8-17(11(3)4)19(16)23)18(22)12-5-14(20)9-15(21)6-12;1-10(2)15-7-12(8-16(11(3)4)19(15)23)18(22)14-6-5-13(20)9-17(14)21;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(21)5-6-17(16)20;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21/h5-11,26H,1-4H3;6*5-11,23H,1-4H3
InChIKeyJXMKECJUZZVROK-UHFFFAOYSA-N
XLogP42.02
TPSA261.10 Ų
H-Bond Donors7
H-Bond Acceptors14
Rotatable Bonds28
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002761.90
LogP ≤ 542.02
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The IUPAC name of (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone (CID 159052881) is (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone.
What is the SMILES notation for (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The canonical SMILES for (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone is CC(C)c1cc(C(=O)c2c(Cl)cccc2Cl)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2c(F)cccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Br)ccc2I)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(Cl)cc(Cl)c2)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2cc(I)ccc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(C(F)(F)F)cc2F)cc(C(C)C)c1O.CC(C)c1cc(C(=O)c2ccc(Cl)cc2Cl)cc(C(C)C)c1O.
What is the InChIKey of (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
The InChIKey is JXMKECJUZZVROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4O2.C19H20BrIO2.3C19H20Cl2O2.2C19H20FIO2/c1-10(2)15-7-12(8-16(11(3)4)19(15)26)18(25)14-6-5-13(9-17(14)21)20(22,23)24;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(20)5-6-17(16)21;1-10(2)16-7-13(8-17(11(3)4)19(16)23)18(22)12-5-14(20)9-15(21)6-12;1-10(2)15-7-12(8-16(11(3)4)19(15)23)18(22)14-6-5-13(20)9-17(14)21;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21;1-10(2)14-7-12(8-15(11(3)4)19(14)23)18(22)16-9-13(21)5-6-17(16)20;1-10(2)13-8-12(9-14(11(3)4)19(13)23)18(22)17-15(20)6-5-7-16(17)21/h5-11,26H,1-4H3;6*5-11,23H,1-4H3.
What are the key properties of (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone?
(5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone has a molecular weight of 2761.90 g/mol, XLogP of 42.02, 28 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,4-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2,6-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(3,5-dichlorophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-5-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;(2-fluoro-6-iodophenyl)-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone;[2-fluoro-4-(trifluoromethyl)phenyl]-[4-hydroxy-3,5-di(propan-2-yl)phenyl]methanone is sourced from PubChem (CID 159052881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).