chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate

C82H65ClF5IN8O14 — CID 159853020

IUPACchloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Oc2ccccc2)cc1F)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(F)cc(Oc3ccccc3)cc2[nH]1.ClI(c1ccccc1)c1ccccc1.O=Cc1ccc(O)cc1F.O=Cc1ccc(Oc2ccccc2)cc1F.OCc1cc2c(F)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H12FN3O3.C16H12FNO3.C15H12FNO2.C13H9FO2.C12H10ClI.C7H5FO2.C3H5N3O2/c1-22-16(21)15(19-20-18)9-11-7-8-13(10-14(11)17)23-12-5-3-2-4-6-12;1-20-16(19)15-9-12-13(17)7-11(8-14(12)18-15)21-10-5-3-2-4-6-10;16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15;14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7-3-6(10)2-1-5(7)4-9;1-8-3(7)2-5-6-4/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-10H;1-4,10H;2H2,1H3/b15-9-;;;;;;
InChIKeyNQEIIFOHRNUWGT-WKCMPQFJSA-N
MW1643.81 g/mol
LogP21.55
Rot. Bonds19

About chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate

chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate (PubChem CID 159853020) has the molecular formula C82H65ClF5IN8O14 and a molecular weight of 1643.81 g/mol. Its IUPAC name is chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate.

Molecular Properties

Compound Namechloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate
PubChem CID159853020
Molecular FormulaC82H65ClF5IN8O14
Molecular Weight1643.81 g/mol
Exact Mass1642.33
IUPAC Namechloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate
SMILESCOC(=O)/C(=C/c1ccc(Oc2ccccc2)cc1F)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(F)cc(Oc3ccccc3)cc2[nH]1.ClI(c1ccccc1)c1ccccc1.O=Cc1ccc(O)cc1F.O=Cc1ccc(Oc2ccccc2)cc1F.OCc1cc2c(F)cc(Oc3ccccc3)cc2[nH]1
InChIInChI=1S/C16H12FN3O3.C16H12FNO3.C15H12FNO2.C13H9FO2.C12H10ClI.C7H5FO2.C3H5N3O2/c1-22-16(21)15(19-20-18)9-11-7-8-13(10-14(11)17)23-12-5-3-2-4-6-12;1-20-16(19)15-9-12-13(17)7-11(8-14(12)18-15)21-10-5-3-2-4-6-10;16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15;14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7-3-6(10)2-1-5(7)4-9;1-8-3(7)2-5-6-4/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-10H;1-4,10H;2H2,1H3/b15-9-;;;;;;
InChIKeyNQEIIFOHRNUWGT-WKCMPQFJSA-N
XLogP21.55
TPSA319.52 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds19
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.81
LogP ≤ 521.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate with MolForge

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Related Compounds

ethyl 6-phenylmethoxy-4-(trifluoromethyl)-1H-indole-2-carboxylate;1H-indole-2-carboxylic acid
CID 160873914
1-Benzyl-6-fluoro-4-phenylmethoxyindole-2-carboxamide;1-benzyl-6-fluoro-4-phenylmethoxyindole-2-carboxylic acid
CID 68975613
1-Benzyl-6-fluoro-4-phenylmethoxyindole-2-carboxylic acid
CID 69094375
methyl 6-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 69095986
6-[(2,6-dichlorophenyl)methoxy]-1H-indole-2-carboxylic acid;ethyl 6-[(2,6-dichlorophenyl)methoxy]-1H-indole-2-carboxylate;propane
CID 142034845
2-(Dimethylamino)ethanol;methane;propan-2-yl 3-(3,4-difluorobenzoyl)-8-[2-(dimethylamino)ethoxy]-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate;propan-2-yl 3-(3,4-difluorobenzoyl)-8-hydroxy-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate
CID 157396179
lithium;azane;2-chloro-3-fluoro-4-methoxybenzaldehyde;1-chloro-2-fluoro-3-methoxybenzene;4-chloro-5-fluoro-6-methoxy-1-methylindole-2-carboxylic acid;deuterio(fluoro)methane;ethyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-chloro-3-fluoro-4-methoxyphenyl)prop-2-enoate;methyl 4-chloro-5-fluoro-6-methoxy-1H-indole-2-carboxylate;methyl 4-chloro-5-fluoro-6-methoxy-1-methylindole-2-carboxylate;hydroxide
CID 157937094
4-chloro-2-(3-chlorophenoxy)benzaldehyde;[6-chloro-4-(3-chlorophenoxy)-1H-indol-2-yl]methanol;4-chloro-2-fluorobenzaldehyde;3-chlorophenol;methane;methyl (Z)-2-azido-3-[4-chloro-2-(3-chlorophenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(3-chlorophenoxy)-1H-indole-2-carboxylate
CID 158131273
4-chloro-2-(4-cyclohexylphenoxy)benzaldehyde;6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylic acid;4-chloro-2-fluorobenzaldehyde;4-cyclohexylphenol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-[4-chloro-2-(4-cyclohexylphenoxy)phenyl]prop-2-enoate;methyl 6-chloro-4-(4-cyclohexylphenoxy)-1H-indole-2-carboxylate
CID 158180743
2-fluorobenzaldehyde;2-(4-fluorophenoxy)benzaldehyde;[4-(4-fluorophenoxy)-1H-indol-2-yl]methanol;methyl (Z)-2-azido-3-[2-(4-fluorophenoxy)phenyl]prop-2-enoate;methyl 4-(4-fluorophenoxy)-1H-indole-2-carboxylate;tungsten
CID 158391140
ethyl 2-azidoacetate;ethyl (Z)-2-azido-3-(2,4,5-trifluorophenyl)prop-2-enoate;ethyl 4,6,7-trifluoro-1H-indole-2-carboxylate;2,4,5-trifluorobenzaldehyde;4,6,7-trifluoro-1H-indole-2-carboxylic acid;tritium monohydride;uranium;vanadium
CID 158548533
ethyl 1-decylindole-2-carboxylate;ethyl 1H-indole-2-carboxylate;(2,3,4,5,6-pentafluorophenyl) 1-decylindole-2-carboxylate
CID 158560946

Frequently Asked Questions

What is the IUPAC name of chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate?
The IUPAC name of chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate (CID 159853020) is chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate.
What is the SMILES notation for chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate?
The canonical SMILES for chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate is COC(=O)/C(=C/c1ccc(Oc2ccccc2)cc1F)N=[N+]=[N-].COC(=O)CN=[N+]=[N-].COC(=O)c1cc2c(F)cc(Oc3ccccc3)cc2[nH]1.ClI(c1ccccc1)c1ccccc1.O=Cc1ccc(O)cc1F.O=Cc1ccc(Oc2ccccc2)cc1F.OCc1cc2c(F)cc(Oc3ccccc3)cc2[nH]1.
What is the InChIKey of chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate?
The InChIKey is NQEIIFOHRNUWGT-WKCMPQFJSA-N. The full InChI is InChI=1S/C16H12FN3O3.C16H12FNO3.C15H12FNO2.C13H9FO2.C12H10ClI.C7H5FO2.C3H5N3O2/c1-22-16(21)15(19-20-18)9-11-7-8-13(10-14(11)17)23-12-5-3-2-4-6-12;1-20-16(19)15-9-12-13(17)7-11(8-14(12)18-15)21-10-5-3-2-4-6-10;16-14-7-12(19-11-4-2-1-3-5-11)8-15-13(14)6-10(9-18)17-15;14-13-8-12(7-6-10(13)9-15)16-11-4-2-1-3-5-11;13-14(11-7-3-1-4-8-11)12-9-5-2-6-10-12;8-7-3-6(10)2-1-5(7)4-9;1-8-3(7)2-5-6-4/h2-10H,1H3;2-9,18H,1H3;1-8,17-18H,9H2;1-9H;1-10H;1-4,10H;2H2,1H3/b15-9-;;;;;;.
What are the key properties of chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate?
chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate has a molecular weight of 1643.81 g/mol, XLogP of 21.55, 19 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(diphenyl)-λ3-iodane;2-fluoro-4-hydroxybenzaldehyde;2-fluoro-4-phenoxybenzaldehyde;(4-fluoro-6-phenoxy-1H-indol-2-yl)methanol;methyl 2-azidoacetate;methyl (Z)-2-azido-3-(2-fluoro-4-phenoxyphenyl)prop-2-enoate;methyl 4-fluoro-6-phenoxy-1H-indole-2-carboxylate is sourced from PubChem (CID 159853020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).