dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol

C21H18Cl2OTi — CID 173092227

IUPACdichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1C1c2ccccc2-c2ccccc21.Cl[Ti]Cl
InChIInChI=1S/C21H18O.2ClH.Ti/c1-14(22)15-8-2-5-11-18(15)21-19-12-6-3-9-16(19)17-10-4-7-13-20(17)21;;;/h2-14,21-22H,1H3;2*1H;/q;;;+2/p-2
InChIKeyGADWJDXRUVVWOI-UHFFFAOYSA-L
MW405.15 g/mol
LogP6.28
Rot. Bonds2

About dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol

dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol (PubChem CID 173092227) has the molecular formula C21H18Cl2OTi and a molecular weight of 405.15 g/mol. Its IUPAC name is dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol.

Molecular Properties

Compound Namedichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol
PubChem CID173092227
Molecular FormulaC21H18Cl2OTi
Molecular Weight405.15 g/mol
Exact Mass404.02
IUPAC Namedichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol
SMILESCC(O)c1ccccc1C1c2ccccc2-c2ccccc21.Cl[Ti]Cl
InChIInChI=1S/C21H18O.2ClH.Ti/c1-14(22)15-8-2-5-11-18(15)21-19-12-6-3-9-16(19)17-10-4-7-13-20(17)21;;;/h2-14,21-22H,1H3;2*1H;/q;;;+2/p-2
InChIKeyGADWJDXRUVVWOI-UHFFFAOYSA-L
XLogP6.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.15
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol?
The IUPAC name of dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol (CID 173092227) is dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol.
What is the SMILES notation for dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol?
The canonical SMILES for dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol is CC(O)c1ccccc1C1c2ccccc2-c2ccccc21.Cl[Ti]Cl.
What is the InChIKey of dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol?
The InChIKey is GADWJDXRUVVWOI-UHFFFAOYSA-L. The full InChI is InChI=1S/C21H18O.2ClH.Ti/c1-14(22)15-8-2-5-11-18(15)21-19-12-6-3-9-16(19)17-10-4-7-13-20(17)21;;;/h2-14,21-22H,1H3;2*1H;/q;;;+2/p-2.
What are the key properties of dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol?
dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol has a molecular weight of 405.15 g/mol, XLogP of 6.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorotitanium;1-[2-(9H-fluoren-9-yl)phenyl]ethanol is sourced from PubChem (CID 173092227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).