[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate

C16H16O4 — CID 102370759

IUPAC[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
SMILESCC(=O)OCc1cccc2cccc(COC(C)=O)c12
InChIInChI=1S/C16H16O4/c1-11(17)19-9-14-7-3-5-13-6-4-8-15(16(13)14)10-20-12(2)18/h3-8H,9-10H2,1-2H3
InChIKeyFWAFTBXXGGTZSG-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.97
Rot. Bonds4

About [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate

[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate (PubChem CID 102370759) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate.

Molecular Properties

Compound Name[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
PubChem CID102370759
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate
SMILESCC(=O)OCc1cccc2cccc(COC(C)=O)c12
InChIInChI=1S/C16H16O4/c1-11(17)19-9-14-7-3-5-13-6-4-8-15(16(13)14)10-20-12(2)18/h3-8H,9-10H2,1-2H3
InChIKeyFWAFTBXXGGTZSG-UHFFFAOYSA-N
XLogP2.97
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-sulfanylphenyl)methyl acetate
CID 118370744
(6-methylnaphthalen-1-yl)methyl acetate
CID 13499502
8-[2-(acetyloxymethyl)phenyl]sulfanylnaphthalene-1-carboxylic acid
CID 67060706
ethane;(2-methylphenyl)methyl acetate
CID 143177732
[2-(bromomethyl)phenyl]methyl acetate
CID 14921817
(2-propylphenyl)methyl acetate
CID 18363688
(2-acetyloxyphenyl)methyl acetate
CID 10889107
(1-phenylacenaphthylen-3-yl)methyl acetate
CID 22172396
(2-methyl-1H-benzimidazol-4-yl)methyl acetate
CID 58897321
2-(acetyloxymethyl)benzenesulfonic acid
CID 154193734
2-naphthalen-1-ylethyl acetate
CID 592920
[3,7,8-tris(acetyloxymethyl)phenazin-2-yl]methyl acetate
CID 2748014

Frequently Asked Questions

What is the IUPAC name of [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate?
The IUPAC name of [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate (CID 102370759) is [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate.
What is the SMILES notation for [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate?
The canonical SMILES for [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate is CC(=O)OCc1cccc2cccc(COC(C)=O)c12.
What is the InChIKey of [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate?
The InChIKey is FWAFTBXXGGTZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11(17)19-9-14-7-3-5-13-6-4-8-15(16(13)14)10-20-12(2)18/h3-8H,9-10H2,1-2H3.
What are the key properties of [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate?
[8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate has a molecular weight of 272.30 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(acetyloxymethyl)naphthalen-1-yl]methyl acetate is sourced from PubChem (CID 102370759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).