dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate

C14H12O5 — CID 2752722

IUPACdimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2c(O)c1C(=O)OC
InChIInChI=1S/C14H12O5/c1-18-13(16)10-7-8-5-3-4-6-9(8)12(15)11(10)14(17)19-2/h3-7,15H,1-2H3
InChIKeyUCYAHIVNBSURER-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.12
Rot. Bonds2

About dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate

dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate (PubChem CID 2752722) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
PubChem CID2752722
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namedimethyl 1-hydroxynaphthalene-2,3-dicarboxylate
SMILESCOC(=O)c1cc2ccccc2c(O)c1C(=O)OC
InChIInChI=1S/C14H12O5/c1-18-13(16)10-7-8-5-3-4-6-9(8)12(15)11(10)14(17)19-2/h3-7,15H,1-2H3
InChIKeyUCYAHIVNBSURER-UHFFFAOYSA-N
XLogP2.12
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-hydroxy-4-(2-hydroxy-3-methoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 10905491
methyl 3-hydroxy-4-iodonaphthalene-2-carboxylate
CID 139922575
dimethyl 1-naphthalen-1-ylnaphthalene-2,3-dicarboxylate
CID 139645771
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dimethyl anthracene-9,10-dicarboxylate
CID 139057809
methyl 3-bromonaphthalene-1-carboxylate
CID 11311609
dimethyl 1-[(Z)-2-methoxyhept-2-en-3-yl]naphthalene-2,3-dicarboxylate
CID 177385894
methyl 7-chlorophenanthrene-9-carboxylate
CID 10730795
methyl 6-azatricyclo[6.4.1.04,13]trideca-1(13),2,4,7,9,11-hexaene-2-carboxylate
CID 67852024
methyl 4-hydroxy-3-[(E)-(4-methylphenyl)sulfonyliminomethyl]naphthalene-2-carboxylate
CID 177398175

Frequently Asked Questions

What is the IUPAC name of dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate?
The IUPAC name of dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate (CID 2752722) is dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate?
The canonical SMILES for dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate is COC(=O)c1cc2ccccc2c(O)c1C(=O)OC.
What is the InChIKey of dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate?
The InChIKey is UCYAHIVNBSURER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-18-13(16)10-7-8-5-3-4-6-9(8)12(15)11(10)14(17)19-2/h3-7,15H,1-2H3.
What are the key properties of dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate?
dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate has a molecular weight of 260.25 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 1-hydroxynaphthalene-2,3-dicarboxylate is sourced from PubChem (CID 2752722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).