ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate

C17H20O4 — CID 141201124

IUPACethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(CC)c2cc(OC)c(OC)cc12
InChIInChI=1S/C17H20O4/c1-5-11-7-8-12(17(18)21-6-2)14-10-16(20-4)15(19-3)9-13(11)14/h7-10H,5-6H2,1-4H3
InChIKeyUAHQUMFUHNYYTR-UHFFFAOYSA-N
MW288.34 g/mol
LogP3.60
Rot. Bonds5

About ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate

ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate (PubChem CID 141201124) has the molecular formula C17H20O4 and a molecular weight of 288.34 g/mol. Its IUPAC name is ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
PubChem CID141201124
Molecular FormulaC17H20O4
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC Nameethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1ccc(CC)c2cc(OC)c(OC)cc12
InChIInChI=1S/C17H20O4/c1-5-11-7-8-12(17(18)21-6-2)14-10-16(20-4)15(19-3)9-13(11)14/h7-10H,5-6H2,1-4H3
InChIKeyUAHQUMFUHNYYTR-UHFFFAOYSA-N
XLogP3.60
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-methoxy-4-propan-2-ylbenzoate
CID 116964804
diethyl 1-hydroxy-6,7-dimethoxynaphthalene-2,3-dicarboxylate
CID 152610053
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-chloro-4-methoxy-3-methylbenzoate
CID 164892224
ethyl 2-hydroxy-4-(3,4,5-trimethoxyphenyl)benzoate
CID 51042654
ethyl 4-ethylsulfanyl-2-methoxybenzoate
CID 91876131
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate?
The IUPAC name of ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate (CID 141201124) is ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate?
The canonical SMILES for ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate is CCOC(=O)c1ccc(CC)c2cc(OC)c(OC)cc12.
What is the InChIKey of ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate?
The InChIKey is UAHQUMFUHNYYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O4/c1-5-11-7-8-12(17(18)21-6-2)14-10-16(20-4)15(19-3)9-13(11)14/h7-10H,5-6H2,1-4H3.
What are the key properties of ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate?
ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate has a molecular weight of 288.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-6,7-dimethoxynaphthalene-1-carboxylate is sourced from PubChem (CID 141201124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).