3-chloro-6-ethyl-2-methoxynaphthalene

C13H13ClO — CID 162345335

IUPAC3-chloro-6-ethyl-2-methoxynaphthalene
SMILESCCc1ccc2cc(OC)c(Cl)cc2c1
InChIInChI=1S/C13H13ClO/c1-3-9-4-5-10-8-13(15-2)12(14)7-11(10)6-9/h4-8H,3H2,1-2H3
InChIKeyMZABLLMCIGFJGI-UHFFFAOYSA-N
MW220.70 g/mol
LogP4.06
Rot. Bonds2

About 3-chloro-6-ethyl-2-methoxynaphthalene

3-chloro-6-ethyl-2-methoxynaphthalene (PubChem CID 162345335) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-chloro-6-ethyl-2-methoxynaphthalene.

Molecular Properties

Compound Name3-chloro-6-ethyl-2-methoxynaphthalene
PubChem CID162345335
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name3-chloro-6-ethyl-2-methoxynaphthalene
SMILESCCc1ccc2cc(OC)c(Cl)cc2c1
InChIInChI=1S/C13H13ClO/c1-3-9-4-5-10-8-13(15-2)12(14)7-11(10)6-9/h4-8H,3H2,1-2H3
InChIKeyMZABLLMCIGFJGI-UHFFFAOYSA-N
XLogP4.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethyl-2-methoxynaphthalene?
The IUPAC name of 3-chloro-6-ethyl-2-methoxynaphthalene (CID 162345335) is 3-chloro-6-ethyl-2-methoxynaphthalene.
What is the SMILES notation for 3-chloro-6-ethyl-2-methoxynaphthalene?
The canonical SMILES for 3-chloro-6-ethyl-2-methoxynaphthalene is CCc1ccc2cc(OC)c(Cl)cc2c1.
What is the InChIKey of 3-chloro-6-ethyl-2-methoxynaphthalene?
The InChIKey is MZABLLMCIGFJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c1-3-9-4-5-10-8-13(15-2)12(14)7-11(10)6-9/h4-8H,3H2,1-2H3.
What are the key properties of 3-chloro-6-ethyl-2-methoxynaphthalene?
3-chloro-6-ethyl-2-methoxynaphthalene has a molecular weight of 220.70 g/mol, XLogP of 4.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethyl-2-methoxynaphthalene is sourced from PubChem (CID 162345335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).