3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid

C9H10O5 — CID 139243427

IUPAC3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c(O)cccc1O
InChIInChI=1S/C9H10O5/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
InChIKeyDFUBVZGEHIBPKF-UHFFFAOYSA-N
MW198.17 g/mol
LogP0.09
Rot. Bonds3

About 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid

3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid (PubChem CID 139243427) has the molecular formula C9H10O5 and a molecular weight of 198.17 g/mol. Its IUPAC name is 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
PubChem CID139243427
Molecular FormulaC9H10O5
Molecular Weight198.17 g/mol
Exact Mass198.05
IUPAC Name3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid
SMILESO=C(O)C(O)Cc1c(O)cccc1O
InChIInChI=1S/C9H10O5/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14)
InChIKeyDFUBVZGEHIBPKF-UHFFFAOYSA-N
XLogP0.09
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.17
LogP ≤ 50.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-hydroxy-3-phenylpropanoic acid;hydrochloride
CID 67010378
sodium;hydride;2-hydroxy-3-phenylpropanoic acid
CID 173185606
2-hydroxy-3-[4-hydroxy-3-(hydroxymethyl)phenyl]propanoic acid
CID 90820561
(2S)-3-(3-chlorophenyl)-2-hydroxypropanoic acid
CID 39240389
3-hydroxy-2-(2-hydroxypropyl)benzoic acid
CID 174903948
4-[(2R)-2-carboxy-2-hydroxyethyl]-3-hydroxybenzoic acid
CID 101288302
(2R)-3-(4-benzylphenyl)-2-hydroxypropanoic acid
CID 150376143
(2S)-4-(2-bromo-3-hydroxyphenyl)-2-hydroxy-4-oxobutanoic acid
CID 134812639
(2R)-2-amino-3-(2-bromo-6-hydroxyphenyl)propanoic acid
CID 96589023
3-(2-bromo-6-hydroxyphenyl)-2-methylpropanoic acid
CID 84738183
2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 57167888
(2R)-2-hydroxy-3-thiophen-2-ylpropanoic acid
CID 39236389

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid?
The IUPAC name of 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid (CID 139243427) is 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid.
What is the SMILES notation for 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid?
The canonical SMILES for 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid is O=C(O)C(O)Cc1c(O)cccc1O.
What is the InChIKey of 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid?
The InChIKey is DFUBVZGEHIBPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O5/c10-6-2-1-3-7(11)5(6)4-8(12)9(13)14/h1-3,8,10-12H,4H2,(H,13,14).
What are the key properties of 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid?
3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid has a molecular weight of 198.17 g/mol, XLogP of 0.09, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dihydroxyphenyl)-2-hydroxypropanoic acid is sourced from PubChem (CID 139243427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).