methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate

C15H16O6 — CID 18981335

IUPACmethyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(OC)c(OC)c(OC)c2c1
InChIInChI=1S/C15H16O6/c1-18-12-7-9-10(13(19-2)14(12)20-3)5-8(6-11(9)16)15(17)21-4/h5-7,16H,1-4H3
InChIKeyCQNLNEFZNMSGEU-UHFFFAOYSA-N
MW292.29 g/mol
LogP2.36
Rot. Bonds4

About methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate

methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate (PubChem CID 18981335) has the molecular formula C15H16O6 and a molecular weight of 292.29 g/mol. Its IUPAC name is methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
PubChem CID18981335
Molecular FormulaC15H16O6
Molecular Weight292.29 g/mol
Exact Mass292.09
IUPAC Namemethyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
SMILESCOC(=O)c1cc(O)c2cc(OC)c(OC)c(OC)c2c1
InChIInChI=1S/C15H16O6/c1-18-12-7-9-10(13(19-2)14(12)20-3)5-8(6-11(9)16)15(17)21-4/h5-7,16H,1-4H3
InChIKeyCQNLNEFZNMSGEU-UHFFFAOYSA-N
XLogP2.36
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
methyl 3-hydroxy-5-methoxy-4-sulfooxybenzoate
CID 71593489
methyl 3-ethoxy-5-hydroxy-4-methoxybenzoate
CID 177233535
methyl 3-hydroxy-5-methoxy-4-(2-methoxyphenoxy)benzoate
CID 10040701
8-ethyl-4-hydroxy-6,7-dimethoxynaphthalene-2-carboxylic acid
CID 51031692
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 4-[2-oxo-2-(3,4,5-trimethoxyphenyl)acetyl]benzoate
CID 170457460
methyl 3-hydroxy-4-methoxy-5-nitrobenzoate
CID 171036678
methyl 3-(2-hydroxypropan-2-yl)-4,5-dimethoxybenzoate
CID 117388803
methyl 4-(2-hydroxyethoxy)-3,5-dimethoxybenzoate
CID 122501384
methyl 3-(3-hydroxy-4-methoxy-N-methylanilino)-4,5-dimethoxybenzoate
CID 71616691
methyl 5-acetyloxy-4,6,7-trimethoxynaphthalene-2-carboxylate
CID 73013836

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate (CID 18981335) is methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate is COC(=O)c1cc(O)c2cc(OC)c(OC)c(OC)c2c1.
What is the InChIKey of methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
The InChIKey is CQNLNEFZNMSGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O6/c1-18-12-7-9-10(13(19-2)14(12)20-3)5-8(6-11(9)16)15(17)21-4/h5-7,16H,1-4H3.
What are the key properties of methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate?
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 18981335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).