methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate

C13H14O3 — CID 23567165

IUPACmethyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1=CCCc2c(OC)cccc21
InChIInChI=1S/C13H14O3/c1-15-12-8-4-5-9-10(12)6-3-7-11(9)13(14)16-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKKRJCBKKNHZYHK-UHFFFAOYSA-N
MW218.25 g/mol
LogP2.20
Rot. Bonds2

About methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate

methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate (PubChem CID 23567165) has the molecular formula C13H14O3 and a molecular weight of 218.25 g/mol. Its IUPAC name is methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate.

Molecular Properties

Compound Namemethyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
PubChem CID23567165
Molecular FormulaC13H14O3
Molecular Weight218.25 g/mol
Exact Mass218.09
IUPAC Namemethyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate
SMILESCOC(=O)C1=CCCc2c(OC)cccc21
InChIInChI=1S/C13H14O3/c1-15-12-8-4-5-9-10(12)6-3-7-11(9)13(14)16-2/h4-5,7-8H,3,6H2,1-2H3
InChIKeyKKRJCBKKNHZYHK-UHFFFAOYSA-N
XLogP2.20
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The IUPAC name of methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate (CID 23567165) is methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate.
What is the SMILES notation for methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The canonical SMILES for methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate is COC(=O)C1=CCCc2c(OC)cccc21.
What is the InChIKey of methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
The InChIKey is KKRJCBKKNHZYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O3/c1-15-12-8-4-5-9-10(12)6-3-7-11(9)13(14)16-2/h4-5,7-8H,3,6H2,1-2H3.
What are the key properties of methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate?
methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate has a molecular weight of 218.25 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methoxy-3,4-dihydronaphthalene-1-carboxylate is sourced from PubChem (CID 23567165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).