1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten

C26H20Cl2F2O4W2 — CID 161298518

IUPAC1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
SMILESCOc1cccc(OC)c1-c1c(F)cccc1Cl.Oc1cccc(O)c1-c1c(F)cccc1Cl.[W].[W]
InChIInChI=1S/C14H12ClFO2.C12H8ClFO2.2W/c1-17-11-7-4-8-12(18-2)14(11)13-9(15)5-3-6-10(13)16;13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h3-8H,1-2H3;1-6,15-16H;;
InChIKeyIOWGZQWJSJDPOH-UHFFFAOYSA-N
MW873.02 g/mol
LogP7.72
Rot. Bonds4

About 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten

1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten (PubChem CID 161298518) has the molecular formula C26H20Cl2F2O4W2 and a molecular weight of 873.02 g/mol. Its IUPAC name is 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten.

Molecular Properties

Compound Name1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
PubChem CID161298518
Molecular FormulaC26H20Cl2F2O4W2
Molecular Weight873.02 g/mol
Exact Mass871.97
IUPAC Name1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten
SMILESCOc1cccc(OC)c1-c1c(F)cccc1Cl.Oc1cccc(O)c1-c1c(F)cccc1Cl.[W].[W]
InChIInChI=1S/C14H12ClFO2.C12H8ClFO2.2W/c1-17-11-7-4-8-12(18-2)14(11)13-9(15)5-3-6-10(13)16;13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h3-8H,1-2H3;1-6,15-16H;;
InChIKeyIOWGZQWJSJDPOH-UHFFFAOYSA-N
XLogP7.72
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500873.02
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten?
The IUPAC name of 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten (CID 161298518) is 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten.
What is the SMILES notation for 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten?
The canonical SMILES for 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten is COc1cccc(OC)c1-c1c(F)cccc1Cl.Oc1cccc(O)c1-c1c(F)cccc1Cl.[W].[W].
What is the InChIKey of 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten?
The InChIKey is IOWGZQWJSJDPOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO2.C12H8ClFO2.2W/c1-17-11-7-4-8-12(18-2)14(11)13-9(15)5-3-6-10(13)16;13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16;;/h3-8H,1-2H3;1-6,15-16H;;.
What are the key properties of 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten?
1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten has a molecular weight of 873.02 g/mol, XLogP of 7.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(2,6-dimethoxyphenyl)-3-fluorobenzene;2-(2-chloro-6-fluorophenyl)benzene-1,3-diol;tungsten is sourced from PubChem (CID 161298518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).