1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene

C20H12Cl2O — CID 176912299

IUPAC1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
SMILESClc1c(Oc2ccc3ccccc3c2Cl)ccc2ccccc12
InChIInChI=1S/C20H12Cl2O/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H
InChIKeyRPEVXVQLYKXIGJ-UHFFFAOYSA-N
MW339.22 g/mol
LogP7.09
Rot. Bonds2

About 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene

1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene (PubChem CID 176912299) has the molecular formula C20H12Cl2O and a molecular weight of 339.22 g/mol. Its IUPAC name is 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene.

Molecular Properties

Compound Name1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
PubChem CID176912299
Molecular FormulaC20H12Cl2O
Molecular Weight339.22 g/mol
Exact Mass338.03
IUPAC Name1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene
SMILESClc1c(Oc2ccc3ccccc3c2Cl)ccc2ccccc12
InChIInChI=1S/C20H12Cl2O/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H
InChIKeyRPEVXVQLYKXIGJ-UHFFFAOYSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.22
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene?
The IUPAC name of 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene (CID 176912299) is 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene.
What is the SMILES notation for 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene?
The canonical SMILES for 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene is Clc1c(Oc2ccc3ccccc3c2Cl)ccc2ccccc12.
What is the InChIKey of 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene?
The InChIKey is RPEVXVQLYKXIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O/c21-19-15-7-3-1-5-13(15)9-11-17(19)23-18-12-10-14-6-2-4-8-16(14)20(18)22/h1-12H.
What are the key properties of 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene?
1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene has a molecular weight of 339.22 g/mol, XLogP of 7.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(1-chloronaphthalen-2-yl)oxynaphthalene is sourced from PubChem (CID 176912299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).