dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide

C15H13Cl2O2Zr- — CID 173247087

IUPACdichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide
SMILESCOc1[c-]c2c(cc1)-c1ccc(OC)cc1C2.Cl[Zr]Cl
InChIInChI=1S/C15H13O2.2ClH.Zr/c1-16-12-3-5-14-10(8-12)7-11-9-13(17-2)4-6-15(11)14;;;/h3-6,8H,7H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyGZNJEZJOFQWARN-UHFFFAOYSA-L
MW387.40 g/mol
LogP4.45
Rot. Bonds2

About dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide

dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide (PubChem CID 173247087) has the molecular formula C15H13Cl2O2Zr- and a molecular weight of 387.40 g/mol. Its IUPAC name is dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide.

Molecular Properties

Compound Namedichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide
PubChem CID173247087
Molecular FormulaC15H13Cl2O2Zr-
Molecular Weight387.40 g/mol
Exact Mass384.93
IUPAC Namedichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide
SMILESCOc1[c-]c2c(cc1)-c1ccc(OC)cc1C2.Cl[Zr]Cl
InChIInChI=1S/C15H13O2.2ClH.Zr/c1-16-12-3-5-14-10(8-12)7-11-9-13(17-2)4-6-15(11)14;;;/h3-6,8H,7H2,1-2H3;2*1H;/q-1;;;+2/p-2
InChIKeyGZNJEZJOFQWARN-UHFFFAOYSA-L
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
9-methoxy-11H-benzo[a]fluorene
CID 13401823
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
2-N,2-N,7-N,7-N-tetrakis(4-methoxyphenyl)-9H-fluorene-2,7-diamine
CID 161479065
3-chloro-8-methoxy-5H-indeno[1,2-c]pyridazine
CID 79374203
5,6,12,13,19-pentamethoxytetracyclo[15.4.0.03,8.010,15]henicosa-1(17),3,5,7,10,12,14,18,20-nonaene
CID 102106088
(2E)-2-[(4-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 58855563
(7-methoxy-9H-fluoren-2-yl)-[(7-methoxy-9H-fluoren-2-yl)amino]-oxoazanium
CID 123234628
5-chloro-2,8-dimethoxy-10-sulfanyloxy-11H-benzo[b]fluorene
CID 142087805
2-[(3-chlorophenyl)methylidene]-5-methoxy-3H-inden-1-one
CID 175387441
6-methoxy-4H-indeno[2,1-d][1,3]thiazole
CID 172548294
5-methoxy-N-methyl-2,3-dihydroinden-1-imine oxide
CID 11030624

Frequently Asked Questions

What is the IUPAC name of dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide?
The IUPAC name of dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide (CID 173247087) is dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide.
What is the SMILES notation for dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide?
The canonical SMILES for dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide is COc1[c-]c2c(cc1)-c1ccc(OC)cc1C2.Cl[Zr]Cl.
What is the InChIKey of dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide?
The InChIKey is GZNJEZJOFQWARN-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H13O2.2ClH.Zr/c1-16-12-3-5-14-10(8-12)7-11-9-13(17-2)4-6-15(11)14;;;/h3-6,8H,7H2,1-2H3;2*1H;/q-1;;;+2/p-2.
What are the key properties of dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide?
dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide has a molecular weight of 387.40 g/mol, XLogP of 4.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozirconium;2,7-dimethoxy-1,9-dihydrofluoren-1-ide is sourced from PubChem (CID 173247087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).