3-(2,4-dichlorophenyl)-3-hydroxypropanal

C9H8Cl2O2 — CID 114795177

IUPAC3-(2,4-dichlorophenyl)-3-hydroxypropanal
SMILESO=CCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,4-5,9,13H,3H2
InChIKeyHROPOATVDWGAKK-UHFFFAOYSA-N
MW219.07 g/mol
LogP2.62
Rot. Bonds3

About 3-(2,4-dichlorophenyl)-3-hydroxypropanal

3-(2,4-dichlorophenyl)-3-hydroxypropanal (PubChem CID 114795177) has the molecular formula C9H8Cl2O2 and a molecular weight of 219.07 g/mol. Its IUPAC name is 3-(2,4-dichlorophenyl)-3-hydroxypropanal.

Molecular Properties

Compound Name3-(2,4-dichlorophenyl)-3-hydroxypropanal
PubChem CID114795177
Molecular FormulaC9H8Cl2O2
Molecular Weight219.07 g/mol
Exact Mass217.99
IUPAC Name3-(2,4-dichlorophenyl)-3-hydroxypropanal
SMILESO=CCC(O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,4-5,9,13H,3H2
InChIKeyHROPOATVDWGAKK-UHFFFAOYSA-N
XLogP2.62
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.07
LogP ≤ 52.62
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

1-(2,4-dichlorophenyl)-2-sulfanylethanol
CID 116830061
3-(3-chloro-4-fluorophenyl)-3-hydroxypropanal
CID 114795328
1-(2,4-dichlorophenyl)-4-methylpentan-1-ol
CID 61272351
1-(2,4-dichlorophenyl)-2-(dimethylamino)ethanol
CID 15501082
3-[[2-(2,4-dichlorophenyl)-2-hydroxyethyl]amino]propan-1-ol
CID 82313271
1-(2,4-dichlorophenyl)-3-methylidenepentan-1-ol
CID 115817552
methyl (Z)-5-(2,4-dichlorophenyl)-3,5-dihydroxypent-2-enoate
CID 134105150
5-(2,4-dichlorophenyl)-5-hydroxy-3-methylpentanoic acid
CID 62942590
1-(2,4-dichlorophenyl)-2-[2-(dimethylamino)ethylamino]ethanol
CID 82313283
1-(2,4-dichlorophenyl)-3-methylhexan-1-ol
CID 65151033
(1S,3S)-3-amino-1-(2,4-dichlorophenyl)-4,4-dimethylpentan-1-ol
CID 171237148
(1R,3R)-3-amino-1-(2,4-dichlorophenyl)-4,4,4-trifluorobutan-1-ol
CID 171237914

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxypropanal?
The IUPAC name of 3-(2,4-dichlorophenyl)-3-hydroxypropanal (CID 114795177) is 3-(2,4-dichlorophenyl)-3-hydroxypropanal.
What is the SMILES notation for 3-(2,4-dichlorophenyl)-3-hydroxypropanal?
The canonical SMILES for 3-(2,4-dichlorophenyl)-3-hydroxypropanal is O=CCC(O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(2,4-dichlorophenyl)-3-hydroxypropanal?
The InChIKey is HROPOATVDWGAKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Cl2O2/c10-6-1-2-7(8(11)5-6)9(13)3-4-12/h1-2,4-5,9,13H,3H2.
What are the key properties of 3-(2,4-dichlorophenyl)-3-hydroxypropanal?
3-(2,4-dichlorophenyl)-3-hydroxypropanal has a molecular weight of 219.07 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichlorophenyl)-3-hydroxypropanal is sourced from PubChem (CID 114795177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).