(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid

C11H10O4 — CID 15258009

IUPAC(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C11H10O4/c12-9-8-4-2-1-3-7(8)5-6-11(9,15)10(13)14/h1-6,9,12,15H,(H,13,14)/t9-,11+/m1/s1
InChIKeyFVPFQCXKDNZPRK-KOLCDFICSA-N
MW206.20 g/mol
LogP0.56
Rot. Bonds1

About (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid

(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid (PubChem CID 15258009) has the molecular formula C11H10O4 and a molecular weight of 206.20 g/mol. Its IUPAC name is (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid
PubChem CID15258009
Molecular FormulaC11H10O4
Molecular Weight206.20 g/mol
Exact Mass206.06
IUPAC Name(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid
SMILESO=C(O)[C@]1(O)C=Cc2ccccc2[C@H]1O
InChIInChI=1S/C11H10O4/c12-9-8-4-2-1-3-7(8)5-6-11(9,15)10(13)14/h1-6,9,12,15H,(H,13,14)/t9-,11+/m1/s1
InChIKeyFVPFQCXKDNZPRK-KOLCDFICSA-N
XLogP0.56
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid?
The IUPAC name of (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid (CID 15258009) is (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid.
What is the SMILES notation for (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid?
The canonical SMILES for (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid is O=C(O)[C@]1(O)C=Cc2ccccc2[C@H]1O.
What is the InChIKey of (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid?
The InChIKey is FVPFQCXKDNZPRK-KOLCDFICSA-N. The full InChI is InChI=1S/C11H10O4/c12-9-8-4-2-1-3-7(8)5-6-11(9,15)10(13)14/h1-6,9,12,15H,(H,13,14)/t9-,11+/m1/s1.
What are the key properties of (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid?
(1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid has a molecular weight of 206.20 g/mol, XLogP of 0.56, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1,2-dihydroxy-1H-naphthalene-2-carboxylic acid is sourced from PubChem (CID 15258009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).