(2S)-2-hydroxy-2-phenylacetaldehyde

C8H8O2 — CID 12536674

IUPAC(2S)-2-hydroxy-2-phenylacetaldehyde
SMILESO=C[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6,8,10H/t8-/m1/s1
InChIKeyJCISRQNKHZNVHJ-MRVPVSSYSA-N
MW136.15 g/mol
LogP0.92
Rot. Bonds2

About (2S)-2-hydroxy-2-phenylacetaldehyde

(2S)-2-hydroxy-2-phenylacetaldehyde (PubChem CID 12536674) has the molecular formula C8H8O2 and a molecular weight of 136.15 g/mol. Its IUPAC name is (2S)-2-hydroxy-2-phenylacetaldehyde.

Molecular Properties

Compound Name(2S)-2-hydroxy-2-phenylacetaldehyde
PubChem CID12536674
Molecular FormulaC8H8O2
Molecular Weight136.15 g/mol
Exact Mass136.05
IUPAC Name(2S)-2-hydroxy-2-phenylacetaldehyde
SMILESO=C[C@@H](O)c1ccccc1
InChIInChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6,8,10H/t8-/m1/s1
InChIKeyJCISRQNKHZNVHJ-MRVPVSSYSA-N
XLogP0.92
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
(2S)-2-hydroxy-2-(4-methylphenyl)acetaldehyde
CID 130026128
benzene;1-phenylprop-2-en-1-ol
CID 174884403
(2R)-2-(3-chlorophenyl)-2-hydroxyacetaldehyde
CID 140582980
(2R)-2-hydroxy-2-[3-(hydroxyamino)phenyl]acetaldehyde
CID 167029078
2-hydroxy-2-[4-[2-[4-(1-hydroxy-2-oxoethyl)phenyl]propan-2-yl]phenyl]acetaldehyde
CID 87666627
CID 135030986
CID 135030986
methanol;2-phenyl-2-sulfanylacetaldehyde
CID 177056526
(E,1R,4R)-1-phenylpent-2-ene-1,4-diol
CID 131244712
(3S)-3-hydroxy-3-phenylpropanal
CID 13061659
CID 142097895
CID 142097895
(2R)-2-chloro-2-phenylacetaldehyde
CID 92982743

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-2-phenylacetaldehyde?
The IUPAC name of (2S)-2-hydroxy-2-phenylacetaldehyde (CID 12536674) is (2S)-2-hydroxy-2-phenylacetaldehyde.
What is the SMILES notation for (2S)-2-hydroxy-2-phenylacetaldehyde?
The canonical SMILES for (2S)-2-hydroxy-2-phenylacetaldehyde is O=C[C@@H](O)c1ccccc1.
What is the InChIKey of (2S)-2-hydroxy-2-phenylacetaldehyde?
The InChIKey is JCISRQNKHZNVHJ-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H8O2/c9-6-8(10)7-4-2-1-3-5-7/h1-6,8,10H/t8-/m1/s1.
What are the key properties of (2S)-2-hydroxy-2-phenylacetaldehyde?
(2S)-2-hydroxy-2-phenylacetaldehyde has a molecular weight of 136.15 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-2-phenylacetaldehyde is sourced from PubChem (CID 12536674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).