[3-(6-methoxynaphthalen-2-yl)phenyl] acetate

C19H16O3 — CID 57307184

IUPAC[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
SMILESCOc1ccc2cc(-c3cccc(OC(C)=O)c3)ccc2c1
InChIInChI=1S/C19H16O3/c1-13(20)22-19-5-3-4-14(12-19)15-6-7-17-11-18(21-2)9-8-16(17)10-15/h3-12H,1-2H3
InChIKeyHPHFDEDZNCTBFD-UHFFFAOYSA-N
MW292.33 g/mol
LogP4.44
Rot. Bonds3

About [3-(6-methoxynaphthalen-2-yl)phenyl] acetate

[3-(6-methoxynaphthalen-2-yl)phenyl] acetate (PubChem CID 57307184) has the molecular formula C19H16O3 and a molecular weight of 292.33 g/mol. Its IUPAC name is [3-(6-methoxynaphthalen-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
PubChem CID57307184
Molecular FormulaC19H16O3
Molecular Weight292.33 g/mol
Exact Mass292.11
IUPAC Name[3-(6-methoxynaphthalen-2-yl)phenyl] acetate
SMILESCOc1ccc2cc(-c3cccc(OC(C)=O)c3)ccc2c1
InChIInChI=1S/C19H16O3/c1-13(20)22-19-5-3-4-14(12-19)15-6-7-17-11-18(21-2)9-8-16(17)10-15/h3-12H,1-2H3
InChIKeyHPHFDEDZNCTBFD-UHFFFAOYSA-N
XLogP4.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-(6-methoxynaphthalen-2-yl)phenyl] acetate?
The IUPAC name of [3-(6-methoxynaphthalen-2-yl)phenyl] acetate (CID 57307184) is [3-(6-methoxynaphthalen-2-yl)phenyl] acetate.
What is the SMILES notation for [3-(6-methoxynaphthalen-2-yl)phenyl] acetate?
The canonical SMILES for [3-(6-methoxynaphthalen-2-yl)phenyl] acetate is COc1ccc2cc(-c3cccc(OC(C)=O)c3)ccc2c1.
What is the InChIKey of [3-(6-methoxynaphthalen-2-yl)phenyl] acetate?
The InChIKey is HPHFDEDZNCTBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O3/c1-13(20)22-19-5-3-4-14(12-19)15-6-7-17-11-18(21-2)9-8-16(17)10-15/h3-12H,1-2H3.
What are the key properties of [3-(6-methoxynaphthalen-2-yl)phenyl] acetate?
[3-(6-methoxynaphthalen-2-yl)phenyl] acetate has a molecular weight of 292.33 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methoxynaphthalen-2-yl)phenyl] acetate is sourced from PubChem (CID 57307184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).