ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate

C16H18O5 — CID 618553

IUPACethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(O)cc2cc(OC)cc(OC)c2c1C
InChIInChI=1S/C16H18O5/c1-5-21-16(18)15-9(2)14-10(7-12(15)17)6-11(19-3)8-13(14)20-4/h6-8,17H,5H2,1-4H3
InChIKeyMSNMOZQVYDYKGW-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.05
Rot. Bonds4

About ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate

ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate (PubChem CID 618553) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
PubChem CID618553
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
SMILESCCOC(=O)c1c(O)cc2cc(OC)cc(OC)c2c1C
InChIInChI=1S/C16H18O5/c1-5-21-16(18)15-9(2)14-10(7-12(15)17)6-11(19-3)8-13(14)20-4/h6-8,17H,5H2,1-4H3
InChIKeyMSNMOZQVYDYKGW-UHFFFAOYSA-N
XLogP3.05
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
ethyl 1,3-dihydroxy-6-methoxynaphthalene-2-carboxylate
CID 11425494
ethyl 2-fluoro-4,6-dimethoxybenzoate
CID 134644513
diethyl 2,6-dimethyl-4-(2,4,6-trimethoxyphenyl)pyridine-3,5-dicarboxylate
CID 135122096
ethyl 4,6-dihydroxy-3-methoxy-2-methylbenzoate
CID 10987943
4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
diethyl 2,4,6-trihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,3-dicarboxylate
CID 169437924
methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
CID 10467917
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
ethyl 2-(4-ethoxy-3-methyl-2,4-dioxobutyl)-4,6-dimethoxybenzoate
CID 11739633
ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 3-iodo-4,6-dimethoxy-2-methylbenzoate
CID 10871806

Frequently Asked Questions

What is the IUPAC name of ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The IUPAC name of ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate (CID 618553) is ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The canonical SMILES for ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate is CCOC(=O)c1c(O)cc2cc(OC)cc(OC)c2c1C.
What is the InChIKey of ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
The InChIKey is MSNMOZQVYDYKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-5-21-16(18)15-9(2)14-10(7-12(15)17)6-11(19-3)8-13(14)20-4/h6-8,17H,5H2,1-4H3.
What are the key properties of ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate?
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate is sourced from PubChem (CID 618553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).