1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride

C14H15Cl2O2Ti — CID 22555719

IUPAC1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride
SMILESCCCOc1ccccc1OC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C14H15O2.2ClH.Ti/c1-2-11-15-13-9-5-6-10-14(13)16-12-7-3-4-8-12;;;/h3,5-7,9-10H,2,4,11H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyYNMILIOBFZYKAO-UHFFFAOYSA-L
MW334.04 g/mol
LogP-2.49
Rot. Bonds5

About 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride

1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride (PubChem CID 22555719) has the molecular formula C14H15Cl2O2Ti and a molecular weight of 334.04 g/mol. Its IUPAC name is 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride.

Molecular Properties

Compound Name1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride
PubChem CID22555719
Molecular FormulaC14H15Cl2O2Ti
Molecular Weight334.04 g/mol
Exact Mass332.99
IUPAC Name1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride
SMILESCCCOc1ccccc1OC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3]
InChIInChI=1S/C14H15O2.2ClH.Ti/c1-2-11-15-13-9-5-6-10-14(13)16-12-7-3-4-8-12;;;/h3,5-7,9-10H,2,4,11H2,1H3;2*1H;/q-1;;;+3/p-2
InChIKeyYNMILIOBFZYKAO-UHFFFAOYSA-L
XLogP-2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 5-2.49
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

(2-butoxyphenyl)-cyclopenta-1,4-dien-1-yl-dimethylsilane;titanium(3+);dichloride
CID 22555225
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CID 43135429
1-(6-chlorohexoxy)-2-propoxybenzene
CID 63499119
1-(chloromethoxy)-2-propoxybenzene
CID 79530194
3-chloro-2-(2-propoxyphenoxy)pyridine-4-carbonitrile
CID 107058762
3-butoxy-2-cyclopenta-1,4-dien-1-ylthiophene;titanium(3+);dichloride
CID 174437948
[2-(2-propoxyphenoxy)phenyl]methanamine
CID 28601470
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
2-[3-chloro-4-(2-propoxyphenoxy)phenyl]ethanamine
CID 81159937
3-methyl-2-(2-propoxyphenoxy)aniline
CID 115550861
1-[2-(2-propoxyphenoxy)phenyl]propan-1-ol
CID 115996062
N-ethyl-2-(2-propoxyphenoxy)ethanamine
CID 6459111

Frequently Asked Questions

What is the IUPAC name of 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride?
The IUPAC name of 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride (CID 22555719) is 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride.
What is the SMILES notation for 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride?
The canonical SMILES for 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride is CCCOc1ccccc1OC1=[C-]CC=C1.[Cl-].[Cl-].[Ti+3].
What is the InChIKey of 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride?
The InChIKey is YNMILIOBFZYKAO-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H15O2.2ClH.Ti/c1-2-11-15-13-9-5-6-10-14(13)16-12-7-3-4-8-12;;;/h3,5-7,9-10H,2,4,11H2,1H3;2*1H;/q-1;;;+3/p-2.
What are the key properties of 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride?
1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride has a molecular weight of 334.04 g/mol, XLogP of -2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopenta-1,4-dien-1-yloxy-2-propoxybenzene;titanium(3+);dichloride is sourced from PubChem (CID 22555719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).