2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium

C32H38F2O2SiZr — CID 22676143

IUPAC2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium
SMILESCC(C)(C)C1=C(c2cc(F)ccc2O)CC=C1[Si](C)(C)C1=CCC(c2cc(F)ccc2O)=C1C(C)(C)C.[Zr]
InChIInChI=1S/C32H38F2O2Si.Zr/c1-31(2,3)29-21(23-17-19(33)9-13-25(23)35)11-15-27(29)37(7,8)28-16-12-22(30(28)32(4,5)6)24-18-20(34)10-14-26(24)36;/h9-10,13-18,35-36H,11-12H2,1-8H3;
InChIKeyMWANUHMJWKZMQZ-UHFFFAOYSA-N
MW611.96 g/mol
LogP9.12
Rot. Bonds4

About 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium

2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium (PubChem CID 22676143) has the molecular formula C32H38F2O2SiZr and a molecular weight of 611.96 g/mol. Its IUPAC name is 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium.

Molecular Properties

Compound Name2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium
PubChem CID22676143
Molecular FormulaC32H38F2O2SiZr
Molecular Weight611.96 g/mol
Exact Mass610.17
IUPAC Name2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium
SMILESCC(C)(C)C1=C(c2cc(F)ccc2O)CC=C1[Si](C)(C)C1=CCC(c2cc(F)ccc2O)=C1C(C)(C)C.[Zr]
InChIInChI=1S/C32H38F2O2Si.Zr/c1-31(2,3)29-21(23-17-19(33)9-13-25(23)35)11-15-27(29)37(7,8)28-16-12-22(30(28)32(4,5)6)24-18-20(34)10-14-26(24)36;/h9-10,13-18,35-36H,11-12H2,1-8H3;
InChIKeyMWANUHMJWKZMQZ-UHFFFAOYSA-N
XLogP9.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.96
LogP ≤ 59.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[Diethyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
CID 73347518
4-[(4-Hydroxy-3-methylphenyl)-dipropylsilyl]-2-methylphenol
CID 90654352
4-[Dibutyl-(4-hydroxy-3-methylphenyl)silyl]-2-methylphenol
CID 71712305
2-Propylphenol, dimethylpentafluorophenylsilyl ether
CID 91697505
3,5-Difluoro-2-[2-tri(propan-2-yl)silylethynyl]phenol
CID 176435777
4-Fluoro-2-[3-(trimethylsilylmethyl)but-3-enyl]phenol
CID 177853722
2-(2-Hydroxy-3-trimethylsilylphenyl)-6-trimethylsilylphenol
CID 21574462
Poly[oxy(dimethylsilylene)], I+/--[[3-(2-hydroxyphenyl)propyl]dimethylsilyl]-I-[[[3-(2-hydroxyphenyl)propyl]dimethylsilyl]oxy]-
CID 18737380
2-[3-[Dimethyl(phenyl)silyl]propyl]phenol
CID 23541385
2-Tert-butyl-4-[tris(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)silyl]phenol
CID 101723058
2,6-Ditert-butyl-4-[(3,5-ditert-butyl-4-hydroxyphenyl)-fluoro-methylsilyl]phenol
CID 14274482
2,2'-Isopropylidene bis(4-fluorophenol)
CID 20291096

Frequently Asked Questions

What is the IUPAC name of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium?
The IUPAC name of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium (CID 22676143) is 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium.
What is the SMILES notation for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium?
The canonical SMILES for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium is CC(C)(C)C1=C(c2cc(F)ccc2O)CC=C1[Si](C)(C)C1=CCC(c2cc(F)ccc2O)=C1C(C)(C)C.[Zr].
What is the InChIKey of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium?
The InChIKey is MWANUHMJWKZMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38F2O2Si.Zr/c1-31(2,3)29-21(23-17-19(33)9-13-25(23)35)11-15-27(29)37(7,8)28-16-12-22(30(28)32(4,5)6)24-18-20(34)10-14-26(24)36;/h9-10,13-18,35-36H,11-12H2,1-8H3;.
What are the key properties of 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium?
2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium has a molecular weight of 611.96 g/mol, XLogP of 9.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-tert-butyl-3-[[5-tert-butyl-4-(5-fluoro-2-hydroxyphenyl)cyclopenta-1,4-dien-1-yl]-dimethylsilyl]cyclopenta-1,3-dien-1-yl]-4-fluorophenol;zirconium is sourced from PubChem (CID 22676143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).