(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol

C10H10Cl3NO — CID 24758907

IUPAC(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CCl)C/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c11-4-9(15)6-14-5-7-1-2-8(12)3-10(7)13/h1-3,5,9,15H,4,6H2/b14-5+/t9-/m1/s1
InChIKeyQUIRMPBFJNOJKI-SVOHMGGZSA-N
MW266.56 g/mol
LogP3.01
Rot. Bonds4

About (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol

(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol (PubChem CID 24758907) has the molecular formula C10H10Cl3NO and a molecular weight of 266.56 g/mol. Its IUPAC name is (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol
PubChem CID24758907
Molecular FormulaC10H10Cl3NO
Molecular Weight266.56 g/mol
Exact Mass264.98
IUPAC Name(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol
SMILESO[C@H](CCl)C/N=C/c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H10Cl3NO/c11-4-9(15)6-14-5-7-1-2-8(12)3-10(7)13/h1-3,5,9,15H,4,6H2/b14-5+/t9-/m1/s1
InChIKeyQUIRMPBFJNOJKI-SVOHMGGZSA-N
XLogP3.01
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.56
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol?
The IUPAC name of (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol (CID 24758907) is (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol.
What is the SMILES notation for (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol?
The canonical SMILES for (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol is O[C@H](CCl)C/N=C/c1ccc(Cl)cc1Cl.
What is the InChIKey of (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol?
The InChIKey is QUIRMPBFJNOJKI-SVOHMGGZSA-N. The full InChI is InChI=1S/C10H10Cl3NO/c11-4-9(15)6-14-5-7-1-2-8(12)3-10(7)13/h1-3,5,9,15H,4,6H2/b14-5+/t9-/m1/s1.
What are the key properties of (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol?
(2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol has a molecular weight of 266.56 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-[(2,4-dichlorophenyl)methylideneamino]propan-2-ol is sourced from PubChem (CID 24758907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).