2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane

C51H54BrCl7CuFO9S4Si — CID 161027154

IUPAC2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane
SMILESBrc1csc(C2OCCO2)c1.C.C.C[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl.Cl[Cu].Clc1csc(C2OCCO2)c1.O=Cc1cc(Cl)c(C(O)c2cccc(Cl)c2)s1.O=Cc1cccc(Cl)c1.[2H]CF
InChIInChI=1S/C15H16Cl2O2SSi.C12H8Cl2O2S.C7H7BrO2S.C7H7ClO2S.C7H5ClO.CH3F.2CH4.ClH.Cu/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15;13-8-3-1-2-7(4-8)11(16)12-10(14)5-9(6-15)17-12;2*8-5-3-6(11-4-5)7-9-1-2-10-7;8-7-3-1-2-6(4-7)5-9;1-2;;;;/h4-9,14H,1-3H3;1-6,11,16H;2*3-4,7H,1-2H2;1-5H;1H3;2*1H4;1H;/q;;;;;;;;;+1/p-1/i;;;;;1D;;;;
InChIKeyTZDFSIHKGGPKPT-GOOKBYQXSA-M
MW1378.96 g/mol
LogP19.46
Rot. Bonds11

About 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane

2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane (PubChem CID 161027154) has the molecular formula C51H54BrCl7CuFO9S4Si and a molecular weight of 1378.96 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane
PubChem CID161027154
Molecular FormulaC51H54BrCl7CuFO9S4Si
Molecular Weight1378.96 g/mol
Exact Mass1372.88
IUPAC Name2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane
SMILESBrc1csc(C2OCCO2)c1.C.C.C[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl.Cl[Cu].Clc1csc(C2OCCO2)c1.O=Cc1cc(Cl)c(C(O)c2cccc(Cl)c2)s1.O=Cc1cccc(Cl)c1.[2H]CF
InChIInChI=1S/C15H16Cl2O2SSi.C12H8Cl2O2S.C7H7BrO2S.C7H7ClO2S.C7H5ClO.CH3F.2CH4.ClH.Cu/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15;13-8-3-1-2-7(4-8)11(16)12-10(14)5-9(6-15)17-12;2*8-5-3-6(11-4-5)7-9-1-2-10-7;8-7-3-1-2-6(4-7)5-9;1-2;;;;/h4-9,14H,1-3H3;1-6,11,16H;2*3-4,7H,1-2H2;1-5H;1H3;2*1H4;1H;/q;;;;;;;;;+1/p-1/i;;;;;1D;;;;
InChIKeyTZDFSIHKGGPKPT-GOOKBYQXSA-M
XLogP19.46
TPSA117.59 Ų
H-Bond Donors1
H-Bond Acceptors13
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001378.96
LogP ≤ 519.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane with MolForge

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Related Compounds

4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
CID 131745435
lithium;4-bromo-2-ethylthiophene;(3-bromophenyl)-(5-ethylthiophen-3-yl)methanol;4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophene-2-carbaldehyde;[4-[(3-bromophenyl)-tri(propan-2-yl)silyloxymethyl]thiophen-2-yl]methanol;butane;3-chlorobenzaldehyde;deuterioethane;dioxomanganese;methane
CID 161203913
5-chloro-4-[(6-chloro-2-pyridinyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde
CID 140937202
(3-bromo-5-methylthiophen-2-yl)-(3-chlorophenyl)methanol
CID 65278280
1-(3-chlorophenyl)-1-[5-(1,3-dioxolan-2-yl)thiophen-3-yl]butane-1,4-diol;ethane
CID 144991582
(3-chlorophenyl)-(4-methoxythiophen-2-yl)methanol
CID 114982389
1-bromo-3-fluorobenzene;3-chlorobenzaldehyde;1-chloro-3-[1-(3-fluorophenyl)butyl]benzene;(3-chlorophenyl)-(3-fluorophenyl)methanol;(3-chlorophenyl)-(3-fluorophenyl)methanone;1-dimethylphosphorylethane;methane
CID 158229888
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
(4-bromo-2-fluoro-3-methoxyphenyl)-(3-chlorophenyl)methanol
CID 171367472
(3-chlorophenyl)-(2,6-dichlorophenyl)methanol
CID 63894270
3-acetylbenzaldehyde;1-[3-(2,2,2-trifluoro-1-trimethylsilyloxyethyl)phenyl]ethanone
CID 158285953
(3-chlorophenyl)-(2-methyl-4-pyridinyl)methanol
CID 106756107

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane?
The IUPAC name of 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane (CID 161027154) is 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane is Brc1csc(C2OCCO2)c1.C.C.C[Si](C)(C)OC(c1cccc(Cl)c1)c1sc(C=O)cc1Cl.Cl[Cu].Clc1csc(C2OCCO2)c1.O=Cc1cc(Cl)c(C(O)c2cccc(Cl)c2)s1.O=Cc1cccc(Cl)c1.[2H]CF.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane?
The InChIKey is TZDFSIHKGGPKPT-GOOKBYQXSA-M. The full InChI is InChI=1S/C15H16Cl2O2SSi.C12H8Cl2O2S.C7H7BrO2S.C7H7ClO2S.C7H5ClO.CH3F.2CH4.ClH.Cu/c1-21(2,3)19-14(10-5-4-6-11(16)7-10)15-13(17)8-12(9-18)20-15;13-8-3-1-2-7(4-8)11(16)12-10(14)5-9(6-15)17-12;2*8-5-3-6(11-4-5)7-9-1-2-10-7;8-7-3-1-2-6(4-7)5-9;1-2;;;;/h4-9,14H,1-3H3;1-6,11,16H;2*3-4,7H,1-2H2;1-5H;1H3;2*1H4;1H;/q;;;;;;;;;+1/p-1/i;;;;;1D;;;;.
What are the key properties of 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane?
2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane has a molecular weight of 1378.96 g/mol, XLogP of 19.46, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromothiophen-2-yl)-1,3-dioxolane;3-chlorobenzaldehyde;4-chloro-5-[(3-chlorophenyl)-hydroxymethyl]thiophene-2-carbaldehyde;4-chloro-5-[(3-chlorophenyl)-trimethylsilyloxymethyl]thiophene-2-carbaldehyde;chlorocopper;2-(4-chlorothiophen-2-yl)-1,3-dioxolane;deuterio(fluoro)methane;methane is sourced from PubChem (CID 161027154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).