2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one

C16H9Cl2NO2 — CID 135455059

IUPAC2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2cc(Cl)cc(Cl)c2)=C(O)c2ccccc21
InChIInChI=1S/C16H9Cl2NO2/c17-9-5-10(18)7-11(6-9)19-8-14-15(20)12-3-1-2-4-13(12)16(14)21/h1-8,20H/b19-8+
InChIKeyDSRCYOZVFSYSRF-UFWORHAWSA-N
MW318.16 g/mol
LogP4.86
Rot. Bonds2

About 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one

2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one (PubChem CID 135455059) has the molecular formula C16H9Cl2NO2 and a molecular weight of 318.16 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one
PubChem CID135455059
Molecular FormulaC16H9Cl2NO2
Molecular Weight318.16 g/mol
Exact Mass317.00
IUPAC Name2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one
SMILESO=C1C(/C=N/c2cc(Cl)cc(Cl)c2)=C(O)c2ccccc21
InChIInChI=1S/C16H9Cl2NO2/c17-9-5-10(18)7-11(6-9)19-8-14-15(20)12-3-1-2-4-13(12)16(14)21/h1-8,20H/b19-8+
InChIKeyDSRCYOZVFSYSRF-UFWORHAWSA-N
XLogP4.86
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.16
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_C(7)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The IUPAC name of 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one (CID 135455059) is 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The canonical SMILES for 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one is O=C1C(/C=N/c2cc(Cl)cc(Cl)c2)=C(O)c2ccccc21.
What is the InChIKey of 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one?
The InChIKey is DSRCYOZVFSYSRF-UFWORHAWSA-N. The full InChI is InChI=1S/C16H9Cl2NO2/c17-9-5-10(18)7-11(6-9)19-8-14-15(20)12-3-1-2-4-13(12)16(14)21/h1-8,20H/b19-8+.
What are the key properties of 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one?
2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one has a molecular weight of 318.16 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)iminomethyl]-3-hydroxyinden-1-one is sourced from PubChem (CID 135455059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).