methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate

C18H14O7 — CID 71898738

IUPACmethyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C18H14O7/c1-23-17(21)12-6-7-24-15(12)9-25-18(22)13-8-14(19)10-4-2-3-5-11(10)16(13)20/h2-8,19-20H,9H2,1H3
InChIKeyJOYYEAPZLIELCX-UHFFFAOYSA-N
MW342.30 g/mol
LogP2.99
Rot. Bonds4

About methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate

methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate (PubChem CID 71898738) has the molecular formula C18H14O7 and a molecular weight of 342.30 g/mol. Its IUPAC name is methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
PubChem CID71898738
Molecular FormulaC18H14O7
Molecular Weight342.30 g/mol
Exact Mass342.07
IUPAC Namemethyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate
SMILESCOC(=O)c1ccoc1COC(=O)c1cc(O)c2ccccc2c1O
InChIInChI=1S/C18H14O7/c1-23-17(21)12-6-7-24-15(12)9-25-18(22)13-8-14(19)10-4-2-3-5-11(10)16(13)20/h2-8,19-20H,9H2,1H3
InChIKeyJOYYEAPZLIELCX-UHFFFAOYSA-N
XLogP2.99
TPSA106.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.30
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

1,2-oxazol-5-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 154771054
methyl 2-[[3-(methoxymethyl)benzoyl]oxymethyl]furan-3-carboxylate
CID 55517459
2-hydroxyethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 156840191
[2-(furan-2-ylmethylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7228665
[2-(butylamino)-2-oxoethyl] 1,4-dihydroxynaphthalene-2-carboxylate
CID 7553014
methyl 4-hydroxy-1-methylnaphthalene-2-carboxylate
CID 20579934
methyl 2-propylfuran-3-carboxylate
CID 15686850
methyl 2-[(3-aminophenoxy)methyl]furan-3-carboxylate
CID 54909153
(4-cyanophenyl)methyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 5132964
2,3-dihydro-1,4-benzodioxin-6-ylmethyl 1,4-dihydroxynaphthalene-2-carboxylate
CID 94942522
methyl 2-[[2-(methylaminomethyl)phenoxy]methyl]furan-3-carboxylate
CID 106484655
ethyl 2-[(5-bromo-2-hydroxybenzoyl)oxymethyl]furan-3-carboxylate
CID 16525393

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate?
The IUPAC name of methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate (CID 71898738) is methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate.
What is the SMILES notation for methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate?
The canonical SMILES for methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate is COC(=O)c1ccoc1COC(=O)c1cc(O)c2ccccc2c1O.
What is the InChIKey of methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate?
The InChIKey is JOYYEAPZLIELCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O7/c1-23-17(21)12-6-7-24-15(12)9-25-18(22)13-8-14(19)10-4-2-3-5-11(10)16(13)20/h2-8,19-20H,9H2,1H3.
What are the key properties of methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate?
methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate has a molecular weight of 342.30 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1,4-dihydroxynaphthalene-2-carbonyl)oxymethyl]furan-3-carboxylate is sourced from PubChem (CID 71898738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).