ethyl 3,8-dimethoxynaphthalene-2-carboxylate

C15H16O4 — CID 170872170

IUPACethyl 3,8-dimethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cccc2cc1OC
InChIInChI=1S/C15H16O4/c1-4-19-15(16)12-9-11-10(8-14(12)18-3)6-5-7-13(11)17-2/h5-9H,4H2,1-3H3
InChIKeyDMHFAFWDPOIMNF-UHFFFAOYSA-N
MW260.29 g/mol
LogP3.03
Rot. Bonds4

About ethyl 3,8-dimethoxynaphthalene-2-carboxylate

ethyl 3,8-dimethoxynaphthalene-2-carboxylate (PubChem CID 170872170) has the molecular formula C15H16O4 and a molecular weight of 260.29 g/mol. Its IUPAC name is ethyl 3,8-dimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3,8-dimethoxynaphthalene-2-carboxylate
PubChem CID170872170
Molecular FormulaC15H16O4
Molecular Weight260.29 g/mol
Exact Mass260.10
IUPAC Nameethyl 3,8-dimethoxynaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2c(OC)cccc2cc1OC
InChIInChI=1S/C15H16O4/c1-4-19-15(16)12-9-11-10(8-14(12)18-3)6-5-7-13(11)17-2/h5-9H,4H2,1-3H3
InChIKeyDMHFAFWDPOIMNF-UHFFFAOYSA-N
XLogP3.03
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-methoxyisoquinoline-3-carboxylate
CID 131699571
ethyl 2-ethoxy-3-methoxybenzoate
CID 82186199
5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
ethyl 3,4-dimethoxy-2-methylbenzoate
CID 23043983
ethyl 8-methoxy-2-oxo-1H-quinoline-3-carboxylate
CID 22509332
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 4-bromo-7-methoxyquinoline-6-carboxylate
CID 122705966
ethyl 3-methoxy-2-propanoylbenzoate
CID 134642585
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
ethyl 5-amino-2-methoxybenzoate
CID 22180184
ethyl 2-cyano-3-methoxybenzoate
CID 91882388
(2-methylphenyl)methyl 3-methoxynaphthalene-2-carboxylate
CID 7766882

Frequently Asked Questions

What is the IUPAC name of ethyl 3,8-dimethoxynaphthalene-2-carboxylate?
The IUPAC name of ethyl 3,8-dimethoxynaphthalene-2-carboxylate (CID 170872170) is ethyl 3,8-dimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3,8-dimethoxynaphthalene-2-carboxylate?
The canonical SMILES for ethyl 3,8-dimethoxynaphthalene-2-carboxylate is CCOC(=O)c1cc2c(OC)cccc2cc1OC.
What is the InChIKey of ethyl 3,8-dimethoxynaphthalene-2-carboxylate?
The InChIKey is DMHFAFWDPOIMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4/c1-4-19-15(16)12-9-11-10(8-14(12)18-3)6-5-7-13(11)17-2/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 3,8-dimethoxynaphthalene-2-carboxylate?
ethyl 3,8-dimethoxynaphthalene-2-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,8-dimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 170872170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).