1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid

C12H10O6 — CID 58798082

IUPAC1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(O)c(OCO)ccc2c1O
InChIInChI=1S/C12H10O6/c13-5-18-9-4-3-6-7(11(9)15)1-2-8(10(6)14)12(16)17/h1-4,13-15H,5H2,(H,16,17)
InChIKeyUHGOUFHGMDVJRO-UHFFFAOYSA-N
MW250.21 g/mol
LogP1.28
Rot. Bonds3

About 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid

1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid (PubChem CID 58798082) has the molecular formula C12H10O6 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid
PubChem CID58798082
Molecular FormulaC12H10O6
Molecular Weight250.21 g/mol
Exact Mass250.05
IUPAC Name1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(O)c(OCO)ccc2c1O
InChIInChI=1S/C12H10O6/c13-5-18-9-4-3-6-7(11(9)15)1-2-8(10(6)14)12(16)17/h1-4,13-15H,5H2,(H,16,17)
InChIKeyUHGOUFHGMDVJRO-UHFFFAOYSA-N
XLogP1.28
TPSA107.22 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 51.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid?
The IUPAC name of 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid (CID 58798082) is 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid.
What is the SMILES notation for 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid?
The canonical SMILES for 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid is O=C(O)c1ccc2c(O)c(OCO)ccc2c1O.
What is the InChIKey of 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid?
The InChIKey is UHGOUFHGMDVJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O6/c13-5-18-9-4-3-6-7(11(9)15)1-2-8(10(6)14)12(16)17/h1-4,13-15H,5H2,(H,16,17).
What are the key properties of 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid?
1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid has a molecular weight of 250.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dihydroxy-6-(hydroxymethoxy)naphthalene-2-carboxylic acid is sourced from PubChem (CID 58798082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).