(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde

C8H9NO3 — CID 167029078

IUPAC(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde
SMILESO=C[C@H](O)c1cccc(NO)c1
InChIInChI=1S/C8H9NO3/c10-5-8(11)6-2-1-3-7(4-6)9-12/h1-5,8-9,11-12H/t8-/m0/s1
InChIKeyYEDUDXJTOKCRSK-QMMMGPOBSA-N
MW167.16 g/mol
LogP0.72
Rot. Bonds3

About (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde

(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde (PubChem CID 167029078) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde.

Molecular Properties

Compound Name(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde
PubChem CID167029078
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde
SMILESO=C[C@H](O)c1cccc(NO)c1
InChIInChI=1S/C8H9NO3/c10-5-8(11)6-2-1-3-7(4-6)9-12/h1-5,8-9,11-12H/t8-/m0/s1
InChIKeyYEDUDXJTOKCRSK-QMMMGPOBSA-N
XLogP0.72
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
(2S)-2-hydroxy-2-phenylacetaldehyde
CID 12536674
(2R)-2-(3,4-dihydroxyphenyl)-2-hydroxyacetaldehyde
CID 90657292
N-[3-[hydroxy(phenyl)methyl]phenyl]prop-2-enamide
CID 139541646
N-[3-(1-nitroso-2-oxoethyl)phenyl]acetamide
CID 91461278
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
N-[3-[(1R)-1-amino-2-oxoethyl]phenyl]methanesulfonamide
CID 54011314
benzene;N-phenylhydroxylamine
CID 162151307
1-(1-hydroxyethyl)-3-(sulfamoylamino)benzene
CID 114959286
3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide
CID 171867840
1-[3-(tert-butylamino)phenyl]ethanol
CID 12585902
N-[3-(1-amino-2-hydroxyethyl)phenyl]acetamide
CID 55296718

Frequently Asked Questions

What is the IUPAC name of (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde?
The IUPAC name of (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde (CID 167029078) is (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde.
What is the SMILES notation for (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde?
The canonical SMILES for (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde is O=C[C@H](O)c1cccc(NO)c1.
What is the InChIKey of (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde?
The InChIKey is YEDUDXJTOKCRSK-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H9NO3/c10-5-8(11)6-2-1-3-7(4-6)9-12/h1-5,8-9,11-12H/t8-/m0/s1.
What are the key properties of (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde?
(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde has a molecular weight of 167.16 g/mol, XLogP of 0.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde is sourced from PubChem (CID 167029078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).