[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate

C16H16O4 — CID 57059015

IUPAC[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc2cc(COC(C)=O)ccc2c1
InChIInChI=1S/C16H16O4/c1-11(17)19-9-13-3-5-16-8-14(10-20-12(2)18)4-6-15(16)7-13/h3-8H,9-10H2,1-2H3
InChIKeyTYKJHNHWWQDPMW-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.97
Rot. Bonds4

About [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate

[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate (PubChem CID 57059015) has the molecular formula C16H16O4 and a molecular weight of 272.30 g/mol. Its IUPAC name is [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate.

Molecular Properties

Compound Name[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
PubChem CID57059015
Molecular FormulaC16H16O4
Molecular Weight272.30 g/mol
Exact Mass272.10
IUPAC Name[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
SMILESCC(=O)OCc1ccc2cc(COC(C)=O)ccc2c1
InChIInChI=1S/C16H16O4/c1-11(17)19-9-13-3-5-16-8-14(10-20-12(2)18)4-6-15(16)7-13/h3-8H,9-10H2,1-2H3
InChIKeyTYKJHNHWWQDPMW-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

6-(acetyloxymethyl)naphthalene-2-carboxylic acid
CID 15589960
[6-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 14047796
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
[7-(2-methylprop-2-enoyloxymethyl)naphthalen-2-yl]methyl 2-methylprop-2-enoate
CID 139921074
CID 90816966
CID 90816966
(4-fluorophenyl)methyl acetate
CID 14793785
[3-(aminomethyl)phenyl]methyl acetate
CID 147642201
(6-hydroxynaphthalen-2-yl)methyl 2-methylprop-2-enoate;yttrium
CID 59524611
benzyl acetate
CID 8785
2-[4-(acetyloxymethyl)phenyl]acetic acid
CID 15224349
potassium [4-(acetyloxymethyl)phenyl]azanide
CID 177177546
naphthalen-2-ylmethyl propanoate;hydrochloride
CID 174398920

Frequently Asked Questions

What is the IUPAC name of [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate?
The IUPAC name of [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate (CID 57059015) is [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate.
What is the SMILES notation for [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate?
The canonical SMILES for [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate is CC(=O)OCc1ccc2cc(COC(C)=O)ccc2c1.
What is the InChIKey of [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate?
The InChIKey is TYKJHNHWWQDPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O4/c1-11(17)19-9-13-3-5-16-8-14(10-20-12(2)18)4-6-15(16)7-13/h3-8H,9-10H2,1-2H3.
What are the key properties of [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate?
[6-(acetyloxymethyl)naphthalen-2-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 [6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate is sourced from PubChem (CID 57059015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).