(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol

C10H10Cl2INO — CID 69134663

IUPAC(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)[C@@H](Cl)I
InChIInChI=1S/C10H10Cl2INO/c11-8-3-1-7(2-4-8)5-14-6-9(15)10(12)13/h1-5,9-10,15H,6H2/b14-5+/t9?,10-/m0/s1
InChIKeyWJQVYCSPAOWHJJ-YUHZGKSRSA-N
MW358.01 g/mol
LogP3.12
Rot. Bonds4

About (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol

(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol (PubChem CID 69134663) has the molecular formula C10H10Cl2INO and a molecular weight of 358.01 g/mol. Its IUPAC name is (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol.

Molecular Properties

Compound Name(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol
PubChem CID69134663
Molecular FormulaC10H10Cl2INO
Molecular Weight358.01 g/mol
Exact Mass356.92
IUPAC Name(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol
SMILESOC(C/N=C/c1ccc(Cl)cc1)[C@@H](Cl)I
InChIInChI=1S/C10H10Cl2INO/c11-8-3-1-7(2-4-8)5-14-6-9(15)10(12)13/h1-5,9-10,15H,6H2/b14-5+/t9?,10-/m0/s1
InChIKeyWJQVYCSPAOWHJJ-YUHZGKSRSA-N
XLogP3.12
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.01
LogP ≤ 53.12
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol?
The IUPAC name of (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol (CID 69134663) is (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol.
What is the SMILES notation for (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol?
The canonical SMILES for (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol is OC(C/N=C/c1ccc(Cl)cc1)[C@@H](Cl)I.
What is the InChIKey of (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol?
The InChIKey is WJQVYCSPAOWHJJ-YUHZGKSRSA-N. The full InChI is InChI=1S/C10H10Cl2INO/c11-8-3-1-7(2-4-8)5-14-6-9(15)10(12)13/h1-5,9-10,15H,6H2/b14-5+/t9?,10-/m0/s1.
What are the key properties of (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol?
(1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol has a molecular weight of 358.01 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-chloro-3-[(4-chlorophenyl)methylideneamino]-1-iodopropan-2-ol is sourced from PubChem (CID 69134663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).