methyl 2-naphthalen-1-yloxyacetate

C13H12O3 — CID 16006

IUPACmethyl 2-naphthalen-1-yloxyacetate
SMILESCOC(=O)COc1cccc2ccccc12
InChIInChI=1S/C13H12O3/c1-15-13(14)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyLDPICKNRMIPLLJ-UHFFFAOYSA-N
MW216.24 g/mol
LogP2.39
Rot. Bonds3

About methyl 2-naphthalen-1-yloxyacetate

methyl 2-naphthalen-1-yloxyacetate (PubChem CID 16006) has the molecular formula C13H12O3 and a molecular weight of 216.24 g/mol. Its IUPAC name is methyl 2-naphthalen-1-yloxyacetate.

Molecular Properties

Compound Namemethyl 2-naphthalen-1-yloxyacetate
PubChem CID16006
Molecular FormulaC13H12O3
Molecular Weight216.24 g/mol
Exact Mass216.08
IUPAC Namemethyl 2-naphthalen-1-yloxyacetate
SMILESCOC(=O)COc1cccc2ccccc12
InChIInChI=1S/C13H12O3/c1-15-13(14)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3
InChIKeyLDPICKNRMIPLLJ-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-naphthalen-1-yloxyacetate?
The IUPAC name of methyl 2-naphthalen-1-yloxyacetate (CID 16006) is methyl 2-naphthalen-1-yloxyacetate.
What is the SMILES notation for methyl 2-naphthalen-1-yloxyacetate?
The canonical SMILES for methyl 2-naphthalen-1-yloxyacetate is COC(=O)COc1cccc2ccccc12.
What is the InChIKey of methyl 2-naphthalen-1-yloxyacetate?
The InChIKey is LDPICKNRMIPLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O3/c1-15-13(14)9-16-12-8-4-6-10-5-2-3-7-11(10)12/h2-8H,9H2,1H3.
What are the key properties of methyl 2-naphthalen-1-yloxyacetate?
methyl 2-naphthalen-1-yloxyacetate has a molecular weight of 216.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-naphthalen-1-yloxyacetate is sourced from PubChem (CID 16006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).