8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol

C20H12Cl2O2 — CID 135202316

IUPAC8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol
SMILESOc1ccc2cc(Oc3ccc4c(Cl)cccc4c3)cc(Cl)c2c1
InChIInChI=1S/C20H12Cl2O2/c21-19-3-1-2-12-8-15(6-7-17(12)19)24-16-9-13-4-5-14(23)10-18(13)20(22)11-16/h1-11,23H
InChIKeyRXMWYRUTIMXONJ-UHFFFAOYSA-N
MW355.22 g/mol
LogP6.80
Rot. Bonds2

About 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol

8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol (PubChem CID 135202316) has the molecular formula C20H12Cl2O2 and a molecular weight of 355.22 g/mol. Its IUPAC name is 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol.

Molecular Properties

Compound Name8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol
PubChem CID135202316
Molecular FormulaC20H12Cl2O2
Molecular Weight355.22 g/mol
Exact Mass354.02
IUPAC Name8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol
SMILESOc1ccc2cc(Oc3ccc4c(Cl)cccc4c3)cc(Cl)c2c1
InChIInChI=1S/C20H12Cl2O2/c21-19-3-1-2-12-8-15(6-7-17(12)19)24-16-9-13-4-5-14(23)10-18(13)20(22)11-16/h1-11,23H
InChIKeyRXMWYRUTIMXONJ-UHFFFAOYSA-N
XLogP6.80
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.22
LogP ≤ 56.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol?
The IUPAC name of 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol (CID 135202316) is 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol.
What is the SMILES notation for 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol?
The canonical SMILES for 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol is Oc1ccc2cc(Oc3ccc4c(Cl)cccc4c3)cc(Cl)c2c1.
What is the InChIKey of 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol?
The InChIKey is RXMWYRUTIMXONJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O2/c21-19-3-1-2-12-8-15(6-7-17(12)19)24-16-9-13-4-5-14(23)10-18(13)20(22)11-16/h1-11,23H.
What are the key properties of 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol?
8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol has a molecular weight of 355.22 g/mol, XLogP of 6.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-6-(5-chloronaphthalen-2-yl)oxynaphthalen-2-ol is sourced from PubChem (CID 135202316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).