[naphthalen-1-yl(phenyl)methyl] acetate

C19H16O2 — CID 612064

IUPAC[naphthalen-1-yl(phenyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19H,1H3
InChIKeyFPJTZLFOAYXONY-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.49
Rot. Bonds3

About [naphthalen-1-yl(phenyl)methyl] acetate

[naphthalen-1-yl(phenyl)methyl] acetate (PubChem CID 612064) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [naphthalen-1-yl(phenyl)methyl] acetate.

Molecular Properties

Compound Name[naphthalen-1-yl(phenyl)methyl] acetate
PubChem CID612064
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name[naphthalen-1-yl(phenyl)methyl] acetate
SMILESCC(=O)OC(c1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19H,1H3
InChIKeyFPJTZLFOAYXONY-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [naphthalen-1-yl(phenyl)methyl] acetate?
The IUPAC name of [naphthalen-1-yl(phenyl)methyl] acetate (CID 612064) is [naphthalen-1-yl(phenyl)methyl] acetate.
What is the SMILES notation for [naphthalen-1-yl(phenyl)methyl] acetate?
The canonical SMILES for [naphthalen-1-yl(phenyl)methyl] acetate is CC(=O)OC(c1ccccc1)c1cccc2ccccc12.
What is the InChIKey of [naphthalen-1-yl(phenyl)methyl] acetate?
The InChIKey is FPJTZLFOAYXONY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-14(20)21-19(16-9-3-2-4-10-16)18-13-7-11-15-8-5-6-12-17(15)18/h2-13,19H,1H3.
What are the key properties of [naphthalen-1-yl(phenyl)methyl] acetate?
[naphthalen-1-yl(phenyl)methyl] acetate has a molecular weight of 276.34 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [naphthalen-1-yl(phenyl)methyl] acetate is sourced from PubChem (CID 612064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).