methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate

C14H14O5 — CID 10467917

IUPACmethyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
SMILES[2H]c1c(C(=O)OC)cc(O)c2c(OC)cc(OC)cc12
InChIInChI=1S/C14H14O5/c1-17-10-5-8-4-9(14(16)19-3)6-11(15)13(8)12(7-10)18-2/h4-7,15H,1-3H3/i4D
InChIKeyYNZGOEIEGSRABO-QYKNYGDISA-N
MW263.27 g/mol
LogP2.35
Rot. Bonds3

About methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate

methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate (PubChem CID 10467917) has the molecular formula C14H14O5 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
PubChem CID10467917
Molecular FormulaC14H14O5
Molecular Weight263.27 g/mol
Exact Mass263.09
IUPAC Namemethyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate
SMILES[2H]c1c(C(=O)OC)cc(O)c2c(OC)cc(OC)cc12
InChIInChI=1S/C14H14O5/c1-17-10-5-8-4-9(14(16)19-3)6-11(15)13(8)12(7-10)18-2/h4-7,15H,1-3H3/i4D
InChIKeyYNZGOEIEGSRABO-QYKNYGDISA-N
XLogP2.35
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylic acid
CID 73013811
methyl 5,7-dimethoxy-4-propan-2-yloxynaphthalene-2-carboxylate
CID 10040709
methyl 4-hydroxy-5,6,8-trimethoxynaphthalene-2-carboxylate
CID 11358292
ethyl 3-hydroxy-6,8-dimethoxy-1-methylnaphthalene-2-carboxylate
CID 618553
3-[(2R)-2-hydroxypropyl]-6,8-dimethoxynaphthalen-1-ol
CID 10445415
3-hydroxy-1,6,8-trimethoxynaphthalene-2-carboxylic acid
CID 621352
methyl 4-hydroxy-6,7,8-trimethoxynaphthalene-2-carboxylate
CID 18981335
methyl 5,7-dimethoxy-1-methylindole-2-carboxylate
CID 102511974
methyl 3-hydroxy-5-methoxy-4-sulfooxybenzoate
CID 71593489
methyl 2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-4,6-dimethoxybenzoate
CID 141364395
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 2,4-dimethoxy-6-(piperidin-4-ylidenemethyl)benzoate
CID 162354073

Frequently Asked Questions

What is the IUPAC name of methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate?
The IUPAC name of methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate (CID 10467917) is methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate is [2H]c1c(C(=O)OC)cc(O)c2c(OC)cc(OC)cc12.
What is the InChIKey of methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate?
The InChIKey is YNZGOEIEGSRABO-QYKNYGDISA-N. The full InChI is InChI=1S/C14H14O5/c1-17-10-5-8-4-9(14(16)19-3)6-11(15)13(8)12(7-10)18-2/h4-7,15H,1-3H3/i4D.
What are the key properties of methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate?
methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate has a molecular weight of 263.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-deuterio-4-hydroxy-5,7-dimethoxynaphthalene-2-carboxylate is sourced from PubChem (CID 10467917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).