(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate

C19H20O8 — CID 11509078

IUPAC(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate
SMILESCOc1cc(OC)c2c(OC(C)=O)c(C(C)=O)cc(OC)c2c1OC(C)=O
InChIInChI=1S/C19H20O8/c1-9(20)12-7-13(23-4)17-16(18(12)26-10(2)21)14(24-5)8-15(25-6)19(17)27-11(3)22/h7-8H,1-6H3
InChIKeyIKGWNYMGWLGBQQ-UHFFFAOYSA-N
MW376.36 g/mol
LogP2.92
Rot. Bonds6

About (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate

(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate (PubChem CID 11509078) has the molecular formula C19H20O8 and a molecular weight of 376.36 g/mol. Its IUPAC name is (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate
PubChem CID11509078
Molecular FormulaC19H20O8
Molecular Weight376.36 g/mol
Exact Mass376.12
IUPAC Name(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate
SMILESCOc1cc(OC)c2c(OC(C)=O)c(C(C)=O)cc(OC)c2c1OC(C)=O
InChIInChI=1S/C19H20O8/c1-9(20)12-7-13(23-4)17-16(18(12)26-10(2)21)14(24-5)8-15(25-6)19(17)27-11(3)22/h7-8H,1-6H3
InChIKeyIKGWNYMGWLGBQQ-UHFFFAOYSA-N
XLogP2.92
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.36
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2,4,6-trimethoxyphenyl) acetate
CID 68597137
1-(1,4,6,8-tetramethoxy-5-phenylmethoxynaphthalen-2-yl)ethanone
CID 11596386
(4-acetyl-3-acetyloxy-5-methoxy-2-methylphenyl) acetate
CID 166890344
(4-acetyloxy-3,8-dimethoxynaphthalen-1-yl) acetate
CID 19873029
1-(2-amino-4,5-dimethoxyphenyl)ethanone;hydrobromide
CID 172866698
(3-acetyl-4-hydroxy-8-methoxynaphthalen-1-yl) acetate
CID 162747341
[6-acetyl-3,4-dimethoxy-2-(piperazin-1-ylmethyl)phenyl] acetate
CID 159565860
1-(5-amino-2,3-dimethoxyphenyl)ethanone
CID 142498186
1-(2,3-dimethoxy-5-methylphenyl)ethanone;ethane
CID 144776470
(4-acetyloxy-3-methoxy-8-methylnaphthalen-1-yl) acetate
CID 19872716
(6-acetyl-5-methoxy-2,3-dihydro-1,4-benzodioxin-8-yl) acetate
CID 13337441
(2-formyl-3,5-dimethoxy-6-methylphenyl) acetate
CID 131861598

Frequently Asked Questions

What is the IUPAC name of (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate?
The IUPAC name of (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate (CID 11509078) is (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate.
What is the SMILES notation for (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate?
The canonical SMILES for (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate is COc1cc(OC)c2c(OC(C)=O)c(C(C)=O)cc(OC)c2c1OC(C)=O.
What is the InChIKey of (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate?
The InChIKey is IKGWNYMGWLGBQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20O8/c1-9(20)12-7-13(23-4)17-16(18(12)26-10(2)21)14(24-5)8-15(25-6)19(17)27-11(3)22/h7-8H,1-6H3.
What are the key properties of (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate?
(2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate has a molecular weight of 376.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-acetyl-5-acetyloxy-4,6,8-trimethoxynaphthalen-1-yl) acetate is sourced from PubChem (CID 11509078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).