3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene

C15H15ClO2 — CID 54529050

IUPAC3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene
SMILESC=Cc1ccc2c(OC)c(C)c(Cl)c(OC)c2c1
InChIInChI=1S/C15H15ClO2/c1-5-10-6-7-11-12(8-10)15(18-4)13(16)9(2)14(11)17-3/h5-8H,1H2,2-4H3
InChIKeyYVELWAIZLOBOJZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.46
Rot. Bonds3

About 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene

3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene (PubChem CID 54529050) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene.

Molecular Properties

Compound Name3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene
PubChem CID54529050
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene
SMILESC=Cc1ccc2c(OC)c(C)c(Cl)c(OC)c2c1
InChIInChI=1S/C15H15ClO2/c1-5-10-6-7-11-12(8-10)15(18-4)13(16)9(2)14(11)17-3/h5-8H,1H2,2-4H3
InChIKeyYVELWAIZLOBOJZ-UHFFFAOYSA-N
XLogP4.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene?
The IUPAC name of 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene (CID 54529050) is 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene.
What is the SMILES notation for 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene?
The canonical SMILES for 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene is C=Cc1ccc2c(OC)c(C)c(Cl)c(OC)c2c1.
What is the InChIKey of 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene?
The InChIKey is YVELWAIZLOBOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-5-10-6-7-11-12(8-10)15(18-4)13(16)9(2)14(11)17-3/h5-8H,1H2,2-4H3.
What are the key properties of 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene?
3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene has a molecular weight of 262.74 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethenyl-1,4-dimethoxy-2-methylnaphthalene is sourced from PubChem (CID 54529050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).