(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

C11H12O4 — CID 29078137

IUPAC(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1O)CCC[C@@H]2O
InChIInChI=1S/C11H12O4/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15/h4-5,9,12-13H,1-3H2,(H,14,15)/t9-/m0/s1
InChIKeyWPHLSUZYGLDCSL-VIFPVBQESA-N
MW208.21 g/mol
LogP1.46
Rot. Bonds1

About (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid

(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (PubChem CID 29078137) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
PubChem CID29078137
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid
SMILESO=C(O)c1ccc2c(c1O)CCC[C@@H]2O
InChIInChI=1S/C11H12O4/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15/h4-5,9,12-13H,1-3H2,(H,14,15)/t9-/m0/s1
InChIKeyWPHLSUZYGLDCSL-VIFPVBQESA-N
XLogP1.46
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-5-fluoro-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129380109
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622
carbanide;methanol;bis(1,2,3,4,5-pentamethylcyclopentane);1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 162294570
4-hydroxy-1-oxo-2,3-dihydroindene-5-carboxylic acid
CID 55297492
2-hydroxy-4-methyl-3-[(2R)-pyrrolidin-2-yl]benzoic acid
CID 66519490
2,3-dihydro-1H-indene-4,7-dicarboxylic acid;terephthalic acid
CID 69347798
(3S)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylic acid
CID 155904489
sodium;2,3-dihydroxyterephthalic acid;hydride
CID 175464540
cyclohexyl-(1-hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 11265396
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
4-(1-hydroxy-2,3-dihydro-1H-inden-4-yl)-2,3-dihydro-1H-inden-1-ol
CID 140933699

Frequently Asked Questions

What is the IUPAC name of (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The IUPAC name of (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid (CID 29078137) is (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid.
What is the SMILES notation for (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The canonical SMILES for (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is O=C(O)c1ccc2c(c1O)CCC[C@@H]2O.
What is the InChIKey of (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
The InChIKey is WPHLSUZYGLDCSL-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12O4/c12-9-3-1-2-7-6(9)4-5-8(10(7)13)11(14)15/h4-5,9,12-13H,1-3H2,(H,14,15)/t9-/m0/s1.
What are the key properties of (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid?
(5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid has a molecular weight of 208.21 g/mol, XLogP of 1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-1,5-dihydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxylic acid is sourced from PubChem (CID 29078137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).