1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride

C15H18Cl2OTi — CID 87491052

IUPAC1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride
SMILESCC1=CCC(c2ccccc2C(C)O)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H18O.2ClH.Ti/c1-10-8-9-13(11(10)2)15-7-5-4-6-14(15)12(3)16;;;/h4-8,12,16H,9H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyOZEDZSCHANFDHJ-UHFFFAOYSA-L
MW333.08 g/mol
LogP-2.13
Rot. Bonds2

About 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride

1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride (PubChem CID 87491052) has the molecular formula C15H18Cl2OTi and a molecular weight of 333.08 g/mol. Its IUPAC name is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride.

Molecular Properties

Compound Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride
PubChem CID87491052
Molecular FormulaC15H18Cl2OTi
Molecular Weight333.08 g/mol
Exact Mass332.02
IUPAC Name1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride
SMILESCC1=CCC(c2ccccc2C(C)O)=C1C.[Cl-].[Cl-].[Ti+2]
InChIInChI=1S/C15H18O.2ClH.Ti/c1-10-8-9-13(11(10)2)15-7-5-4-6-14(15)12(3)16;;;/h4-8,12,16H,9H2,1-3H3;2*1H;/q;;;+2/p-2
InChIKeyOZEDZSCHANFDHJ-UHFFFAOYSA-L
XLogP-2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.08
LogP ≤ 5-2.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride?
The IUPAC name of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride (CID 87491052) is 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride.
What is the SMILES notation for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride?
The canonical SMILES for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride is CC1=CCC(c2ccccc2C(C)O)=C1C.[Cl-].[Cl-].[Ti+2].
What is the InChIKey of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride?
The InChIKey is OZEDZSCHANFDHJ-UHFFFAOYSA-L. The full InChI is InChI=1S/C15H18O.2ClH.Ti/c1-10-8-9-13(11(10)2)15-7-5-4-6-14(15)12(3)16;;;/h4-8,12,16H,9H2,1-3H3;2*1H;/q;;;+2/p-2.
What are the key properties of 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride?
1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride has a molecular weight of 333.08 g/mol, XLogP of -2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,3-dimethylcyclopenta-1,3-dien-1-yl)phenyl]ethanol;titanium(2+);dichloride is sourced from PubChem (CID 87491052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).