1-chloro-2,5-dimethoxy-3-methylnaphthalene

C13H13ClO2 — CID 143530765

IUPAC1-chloro-2,5-dimethoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2c(OC)cccc2c1Cl
InChIInChI=1S/C13H13ClO2/c1-8-7-10-9(12(14)13(8)16-3)5-4-6-11(10)15-2/h4-7H,1-3H3
InChIKeyRSXBUAPIGXIPAH-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.82
Rot. Bonds2

About 1-chloro-2,5-dimethoxy-3-methylnaphthalene

1-chloro-2,5-dimethoxy-3-methylnaphthalene (PubChem CID 143530765) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 1-chloro-2,5-dimethoxy-3-methylnaphthalene.

Molecular Properties

Compound Name1-chloro-2,5-dimethoxy-3-methylnaphthalene
PubChem CID143530765
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name1-chloro-2,5-dimethoxy-3-methylnaphthalene
SMILESCOc1c(C)cc2c(OC)cccc2c1Cl
InChIInChI=1S/C13H13ClO2/c1-8-7-10-9(12(14)13(8)16-3)5-4-6-11(10)15-2/h4-7H,1-3H3
InChIKeyRSXBUAPIGXIPAH-UHFFFAOYSA-N
XLogP3.82
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,5-dimethoxy-3-methylnaphthalene?
The IUPAC name of 1-chloro-2,5-dimethoxy-3-methylnaphthalene (CID 143530765) is 1-chloro-2,5-dimethoxy-3-methylnaphthalene.
What is the SMILES notation for 1-chloro-2,5-dimethoxy-3-methylnaphthalene?
The canonical SMILES for 1-chloro-2,5-dimethoxy-3-methylnaphthalene is COc1c(C)cc2c(OC)cccc2c1Cl.
What is the InChIKey of 1-chloro-2,5-dimethoxy-3-methylnaphthalene?
The InChIKey is RSXBUAPIGXIPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-8-7-10-9(12(14)13(8)16-3)5-4-6-11(10)15-2/h4-7H,1-3H3.
What are the key properties of 1-chloro-2,5-dimethoxy-3-methylnaphthalene?
1-chloro-2,5-dimethoxy-3-methylnaphthalene has a molecular weight of 236.70 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,5-dimethoxy-3-methylnaphthalene is sourced from PubChem (CID 143530765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).