dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene

C17H16Cl2O2Zr — CID 174442019

IUPACdichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2C=Cc3ccccc32)c(OC)c1.Cl[Zr]Cl
InChIInChI=1S/C17H16O2.2ClH.Zr/c1-18-13-8-10-16(17(11-13)19-2)15-9-7-12-5-3-4-6-14(12)15;;;/h3-11,15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGQNTUHGTNHFNFC-UHFFFAOYSA-L
MW414.44 g/mol
LogP5.24
Rot. Bonds3

About dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene

dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene (PubChem CID 174442019) has the molecular formula C17H16Cl2O2Zr and a molecular weight of 414.44 g/mol. Its IUPAC name is dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene.

Molecular Properties

Compound Namedichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
PubChem CID174442019
Molecular FormulaC17H16Cl2O2Zr
Molecular Weight414.44 g/mol
Exact Mass411.96
IUPAC Namedichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2C=Cc3ccccc32)c(OC)c1.Cl[Zr]Cl
InChIInChI=1S/C17H16O2.2ClH.Zr/c1-18-13-8-10-16(17(11-13)19-2)15-9-7-12-5-3-4-6-14(12)15;;;/h3-11,15H,1-2H3;2*1H;/q;;;+2/p-2
InChIKeyGQNTUHGTNHFNFC-UHFFFAOYSA-L
XLogP5.24
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.44
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene?
The IUPAC name of dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene (CID 174442019) is dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene.
What is the SMILES notation for dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene?
The canonical SMILES for dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene is COc1ccc(C2C=Cc3ccccc32)c(OC)c1.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene?
The InChIKey is GQNTUHGTNHFNFC-UHFFFAOYSA-L. The full InChI is InChI=1S/C17H16O2.2ClH.Zr/c1-18-13-8-10-16(17(11-13)19-2)15-9-7-12-5-3-4-6-14(12)15;;;/h3-11,15H,1-2H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene?
dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene has a molecular weight of 414.44 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;1-(2,4-dimethoxyphenyl)-1H-indene is sourced from PubChem (CID 174442019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).