2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol

C124H142BrCl7FMoN9O6W3-4 — CID 159861385

IUPAC2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cccc(OC)c1O.Cc1cc(C)c(-c2cc(F)cc(Br)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Cl)cc1-c1ccccc1.Oc1cccc2cccnc12
InChIInChI=1S/C18H13ClO.C15H14BrFO.C12H17N.C9H7NO.C8H10O3.3C6H3Cl2N.4C6H8N.4C5H10.Mo.3W/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8-4-9(2)14(10(3)5-8)12-6-11(17)7-13(16)15(12)18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;1-10-6-4-3-5-7(11-2)8(6)9;3*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h1-12,20H;4-7,18H,1-3H3;5-9H,1-4H3;1-6,11H;3-5,9H,1-2H3;3*1-3H;4*3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;4*-1;;;;;;;;
InChIKeyGJVASUDMHQIYSG-UHFFFAOYSA-N
MW2849.09 g/mol
LogP38.56
Rot. Bonds11

About 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol

2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol (PubChem CID 159861385) has the molecular formula C124H142BrCl7FMoN9O6W3-4 and a molecular weight of 2849.09 g/mol. Its IUPAC name is 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol.

Molecular Properties

Compound Name2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol
PubChem CID159861385
Molecular FormulaC124H142BrCl7FMoN9O6W3-4
Molecular Weight2849.09 g/mol
Exact Mass2845.57
IUPAC Name2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol
SMILESCC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cccc(OC)c1O.Cc1cc(C)c(-c2cc(F)cc(Br)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Cl)cc1-c1ccccc1.Oc1cccc2cccnc12
InChIInChI=1S/C18H13ClO.C15H14BrFO.C12H17N.C9H7NO.C8H10O3.3C6H3Cl2N.4C6H8N.4C5H10.Mo.3W/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8-4-9(2)14(10(3)5-8)12-6-11(17)7-13(16)15(12)18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;1-10-6-4-3-5-7(11-2)8(6)9;3*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h1-12,20H;4-7,18H,1-3H3;5-9H,1-4H3;1-6,11H;3-5,9H,1-2H3;3*1-3H;4*3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;4*-1;;;;;;;;
InChIKeyGJVASUDMHQIYSG-UHFFFAOYSA-N
XLogP38.56
TPSA218.11 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds11
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.09
LogP ≤ 538.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Analyze 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol with MolForge

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Related Compounds

3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol);4-bromo-2,3,5,6-tetraphenylphenol;(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tetrakis(2,5-dimethylpyrrol-1-ide);bis([2,6-di(propan-2-yl)phenyl]imino-[2-(5-fluoro-2-methoxyphenyl)-2-methylpropylidene]molybdenum);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 163550082
bis(2-tert-butyl-6-phenylphenol);2,6-dibromo-4-fluorophenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;tetrakis(2,5-dimethylpyrrol-1-ide);2,6-diphenylbenzenethiolate;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158750489
4-bromo-2-(4-bromophenyl)-6-(4-methylphenyl)-3,5-diphenylphenol;bis(2,6-ditert-butylphenol);tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);(2,6-dimethylphenyl)imino-(2-methyl-2-phenylpropylidene)molybdenum;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tris(2,5-dimethylpyrrol-1-ide);4-fluoro-2,6-diphenylphenol;bis(pyrrol-1-ide);tris(4-methylphenyl)methanol
CID 157128021
4-bromo-2,6-ditert-butylphenol;2,6-ditert-butyl-4-methoxyphenol;2,6-ditert-butyl-4-methylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tetrakis(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);hydroxy(triphenyl)silane;hexakis(pyrrol-1-ide);2,4,6-tritert-butylphenol
CID 159246897
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide
CID 153288388
2,6-diphenylphenol;tris([2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum);2-methoxy-6-methylphenol;4-methyl-2,6-diphenylphenol;2-methylpropan-2-ol;quinolin-8-ol;1,1,1-trifluoro-2-methylpropan-2-ol
CID 161075571
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten);bis(2,5-dimethylpyrrol-1-ide);2,6-diphenylphenol;8-(8-methoxynaphthalen-1-yl)naphthalen-1-ol;2-methylpropan-2-ol;tris(1,1,1-trifluoro-2-methylpropan-2-ol)
CID 163837306
1-adamantylimino-(2-methyl-2-phenylpropylidene)molybdenum;4-bromo-2,6-diphenylphenol;bis((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;4-fluoro-2,6-bis(2,4,6-trimethylphenyl)phenol;pyrrol-1-ide;bis(1,1,1-trifluoro-2-phenylpropan-2-ol)
CID 159789096
(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;2,5-dimethylpyrrol-1-ide;bis(2,6-diphenylphenol);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum;[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)tungsten;1,1,1,3,3,3-hexafluoro-2-methylpropan-2-ol;8-(8-methylnaphthalen-1-yl)naphthalen-1-ol;2,3,4,5,6-pentafluorophenol
CID 157458416
tris(bis(2,4,6-trimethylphenyl)methanol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 161383120
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);tris(2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum);2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminotungsten;pentakis(2,5-dimethylpyrrol-1-ide);pentakis(hydroxy(triphenyl)silane);bis(pyrrol-1-ide);triphenylmethanol
CID 158079685
3-bromo-1-(3-bromo-2-methyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-ol;bis(2-tert-butyl-6-(methoxymethyl)phenol);(2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten;(2,6-dichlorophenyl)imino-(2-methyl-2-phenylpropylidene)tungsten;tris(2,5-dimethylpyrrol-1-ide);[2,6-di(propan-2-yl)phenyl]imino-(2-methyl-2-phenylpropylidene)molybdenum
CID 158670601

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol?
The IUPAC name of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol (CID 159861385) is 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol.
What is the SMILES notation for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol?
The canonical SMILES for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol is CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)(C)C=[W]=Nc1c(Cl)cccc1Cl.CC(C)c1cccc(C(C)C)c1N=[Mo]=CC(C)(C)C.COc1cccc(OC)c1O.Cc1cc(C)c(-c2cc(F)cc(Br)c2O)c(C)c1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Cc1ccc(C)[n-]1.Oc1c(-c2ccccc2)cc(Cl)cc1-c1ccccc1.Oc1cccc2cccnc12.
What is the InChIKey of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol?
The InChIKey is GJVASUDMHQIYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClO.C15H14BrFO.C12H17N.C9H7NO.C8H10O3.3C6H3Cl2N.4C6H8N.4C5H10.Mo.3W/c19-15-11-16(13-7-3-1-4-8-13)18(20)17(12-15)14-9-5-2-6-10-14;1-8-4-9(2)14(10(3)5-8)12-6-11(17)7-13(16)15(12)18;1-8(2)10-6-5-7-11(9(3)4)12(10)13;11-8-5-1-3-7-4-2-6-10-9(7)8;1-10-6-4-3-5-7(11-2)8(6)9;3*7-4-2-1-3-5(8)6(4)9;4*1-5-3-4-6(2)7-5;4*1-5(2,3)4;;;;/h1-12,20H;4-7,18H,1-3H3;5-9H,1-4H3;1-6,11H;3-5,9H,1-2H3;3*1-3H;4*3-4H,1-2H3;4*1H,2-4H3;;;;/q;;;;;;;;4*-1;;;;;;;;.
What are the key properties of 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol?
2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol has a molecular weight of 2849.09 g/mol, XLogP of 38.56, 11 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-6-(2,4,6-trimethylphenyl)phenol;4-chloro-2,6-diphenylphenol;tris((2,6-dichlorophenyl)imino-(2,2-dimethylpropylidene)tungsten);2,6-dimethoxyphenol;2,2-dimethylpropylidene-[2,6-di(propan-2-yl)phenyl]iminomolybdenum;tetrakis(2,5-dimethylpyrrol-1-ide);quinolin-8-ol is sourced from PubChem (CID 159861385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).