(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde

C8H8O4 — CID 90657292

IUPAC(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H/t8-/m0/s1
InChIKeyYUGMCLJIWGEKCK-QMMMGPOBSA-N
MW168.15 g/mol
LogP0.33
Rot. Bonds2

About (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde

(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde (PubChem CID 90657292) has the molecular formula C8H8O4 and a molecular weight of 168.15 g/mol. Its IUPAC name is (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde.

Molecular Properties

Compound Name(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
PubChem CID90657292
Molecular FormulaC8H8O4
Molecular Weight168.15 g/mol
Exact Mass168.04
IUPAC Name(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
SMILESO=C[C@H](O)c1ccc(O)c(O)c1
InChIInChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H/t8-/m0/s1
InChIKeyYUGMCLJIWGEKCK-QMMMGPOBSA-N
XLogP0.33
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-bromo-2-(3,4-dihydroxyphenyl)acetaldehyde
CID 90134025
2-(3,4-dihydroxyphenyl)-2-fluoroacetaldehyde
CID 105434348
2-cyclopropyl-2-(3,4-dihydroxyphenyl)acetaldehyde
CID 83830021
[1-(3,4-dihydroxyphenyl)-2-oxoethyl] acetate
CID 174948815
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
3-chloro-3-(3,4-dihydroxyphenyl)propanal
CID 88598261
(3,4-dihydroxyphenyl)-hydroxymethanesulfonic acid
CID 23516386
N-[2-(3,4-dihydroxyphenyl)-2-hydroxyethyl]-N-methylformamide
CID 123887702
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
4-(2-fluoro-1-hydroxyethyl)benzene-1,2-diol
CID 130033907
4-[(R)-hydroxy(methylamino)methyl]benzene-1,2-diol
CID 58060681

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde?
The IUPAC name of (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde (CID 90657292) is (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde.
What is the SMILES notation for (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde?
The canonical SMILES for (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde is O=C[C@H](O)c1ccc(O)c(O)c1.
What is the InChIKey of (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde?
The InChIKey is YUGMCLJIWGEKCK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H8O4/c9-4-8(12)5-1-2-6(10)7(11)3-5/h1-4,8,10-12H/t8-/m0/s1.
What are the key properties of (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde?
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde has a molecular weight of 168.15 g/mol, XLogP of 0.33, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde is sourced from PubChem (CID 90657292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).