3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)

C20H12Cl2O2Ti+2 — CID 23311022

IUPAC3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
SMILESOc1c(Cl)cc2ccccc2c1-c1c(O)c(Cl)cc2ccccc12.[Ti+2]
InChIInChI=1S/C20H12Cl2O2.Ti/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;/h1-10,23-24H;/q;+2
InChIKeyGWBLCEFCSQZHJL-UHFFFAOYSA-N
MW403.09 g/mol
LogP6.38
Rot. Bonds1

About 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)

3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) (PubChem CID 23311022) has the molecular formula C20H12Cl2O2Ti+2 and a molecular weight of 403.09 g/mol. Its IUPAC name is 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+).

Molecular Properties

Compound Name3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
PubChem CID23311022
Molecular FormulaC20H12Cl2O2Ti+2
Molecular Weight403.09 g/mol
Exact Mass401.97
IUPAC Name3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)
SMILESOc1c(Cl)cc2ccccc2c1-c1c(O)c(Cl)cc2ccccc12.[Ti+2]
InChIInChI=1S/C20H12Cl2O2.Ti/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;/h1-10,23-24H;/q;+2
InChIKeyGWBLCEFCSQZHJL-UHFFFAOYSA-N
XLogP6.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-2-hydroxynaphthalen-1-yl)boronic acid
CID 172762797
1-(2-hydroxy-3-iodonaphthalen-1-yl)-3-iodonaphthalen-2-ol
CID 171920783
(3-chloro-1-hydroxynaphthalen-2-yl)boronic acid
CID 162734827
3-chloronaphthalen-1-ol
CID 23423080
dichlorotitanium;1-(2-hydroxy-3-phenylnaphthalen-1-yl)-3-phenylnaphthalen-2-ol
CID 58639284
2-chloro-4-(2-chloronaphthalen-1-yl)phenol
CID 174790490
6,7-dichloronaphthalen-1-ol
CID 82254274
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
1-[2-hydroxy-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-1-yl]-3-[(2-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 136596197
3-diphenylphosphanyl-1-(3-diphenylphosphanyl-2-hydroxynaphthalen-1-yl)naphthalen-2-ol
CID 52912463
1-[2-hydroxy-3-(2-phenylethynyl)naphthalen-1-yl]-3-(2-phenylethynyl)naphthalen-2-ol
CID 12036498
1-[(3,5-dichloro-4-hydroxyphenyl)iminomethyl]naphthalen-2-ol
CID 630306

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?
The IUPAC name of 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) (CID 23311022) is 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+).
What is the SMILES notation for 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?
The canonical SMILES for 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) is Oc1c(Cl)cc2ccccc2c1-c1c(O)c(Cl)cc2ccccc12.[Ti+2].
What is the InChIKey of 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?
The InChIKey is GWBLCEFCSQZHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2.Ti/c21-15-9-11-5-1-3-7-13(11)17(19(15)23)18-14-8-4-2-6-12(14)10-16(22)20(18)24;/h1-10,23-24H;/q;+2.
What are the key properties of 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+)?
3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) has a molecular weight of 403.09 g/mol, XLogP of 6.38, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(3-chloro-2-hydroxynaphthalen-1-yl)naphthalen-2-ol;titanium(2+) is sourced from PubChem (CID 23311022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).