2-hydroxyacetaldehyde;styrene

C10H12O2 — CID 158920160

IUPAC2-hydroxyacetaldehyde;styrene
SMILESC=Cc1ccccc1.O=CCO
InChIInChI=1S/C8H8.C2H4O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;1,4H,2H2
InChIKeyJHSUNIAYALOAJP-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.51
Rot. Bonds2

About 2-hydroxyacetaldehyde;styrene

2-hydroxyacetaldehyde;styrene (PubChem CID 158920160) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2-hydroxyacetaldehyde;styrene.

Molecular Properties

Compound Name2-hydroxyacetaldehyde;styrene
PubChem CID158920160
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2-hydroxyacetaldehyde;styrene
SMILESC=Cc1ccccc1.O=CCO
InChIInChI=1S/C8H8.C2H4O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;1,4H,2H2
InChIKeyJHSUNIAYALOAJP-UHFFFAOYSA-N
XLogP1.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetaldehyde;styrene?
The IUPAC name of 2-hydroxyacetaldehyde;styrene (CID 158920160) is 2-hydroxyacetaldehyde;styrene.
What is the SMILES notation for 2-hydroxyacetaldehyde;styrene?
The canonical SMILES for 2-hydroxyacetaldehyde;styrene is C=Cc1ccccc1.O=CCO.
What is the InChIKey of 2-hydroxyacetaldehyde;styrene?
The InChIKey is JHSUNIAYALOAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8.C2H4O2/c1-2-8-6-4-3-5-7-8;3-1-2-4/h2-7H,1H2;1,4H,2H2.
What are the key properties of 2-hydroxyacetaldehyde;styrene?
2-hydroxyacetaldehyde;styrene has a molecular weight of 164.20 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetaldehyde;styrene is sourced from PubChem (CID 158920160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).