ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate

C18H20O6 — CID 11724307

IUPACethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1C
InChIInChI=1S/C18H20O6/c1-6-23-18(20)12-9-15(24-11(3)19)17-14(22-5)8-7-13(21-4)16(17)10(12)2/h7-9H,6H2,1-5H3
InChIKeyRBLBFXXWCRSWFH-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.27
Rot. Bonds5

About ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate

ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate (PubChem CID 11724307) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate
PubChem CID11724307
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Nameethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1C
InChIInChI=1S/C18H20O6/c1-6-23-18(20)12-9-15(24-11(3)19)17-14(22-5)8-7-13(21-4)16(17)10(12)2/h7-9H,6H2,1-5H3
InChIKeyRBLBFXXWCRSWFH-UHFFFAOYSA-N
XLogP3.27
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 5-acetyl-2-methoxybenzoate
CID 97035919
ethyl 2-acetyloxy-4-aminobenzoate
CID 90384758
ethyl 2-acetyloxybenzoate;hydrochloride
CID 168984732
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
ethyl 4,7-dimethoxy-1-methylindole-3-carboxylate
CID 100984244

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate (CID 11724307) is ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate is CCOC(=O)c1cc(OC(C)=O)c2c(OC)ccc(OC)c2c1C.
What is the InChIKey of ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The InChIKey is RBLBFXXWCRSWFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O6/c1-6-23-18(20)12-9-15(24-11(3)19)17-14(22-5)8-7-13(21-4)16(17)10(12)2/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate has a molecular weight of 332.35 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-5,8-dimethoxy-1-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 11724307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).