6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one

C16H9Cl2NO3 — CID 2796493

IUPAC6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1
InChIInChI=1S/C16H9Cl2NO3/c17-11-5-10(16(21)13(18)7-11)8-19-12-2-3-14-9(6-12)1-4-15(20)22-14/h1-8,21H/b19-8+
InChIKeyANJQOSPWFQMOAJ-UFWORHAWSA-N
MW334.16 g/mol
LogP4.56
Rot. Bonds2

About 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one

6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one (PubChem CID 2796493) has the molecular formula C16H9Cl2NO3 and a molecular weight of 334.16 g/mol. Its IUPAC name is 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one.

Molecular Properties

Compound Name6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one
PubChem CID2796493
Molecular FormulaC16H9Cl2NO3
Molecular Weight334.16 g/mol
Exact Mass333.00
IUPAC Name6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one
SMILESO=c1ccc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1
InChIInChI=1S/C16H9Cl2NO3/c17-11-5-10(16(21)13(18)7-11)8-19-12-2-3-14-9(6-12)1-4-15(20)22-14/h1-8,21H/b19-8+
InChIKeyANJQOSPWFQMOAJ-UFWORHAWSA-N
XLogP4.56
TPSA62.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.16
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one?
The IUPAC name of 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one (CID 2796493) is 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one.
What is the SMILES notation for 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one?
The canonical SMILES for 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one is O=c1ccc2cc(/N=C/c3cc(Cl)cc(Cl)c3O)ccc2o1.
What is the InChIKey of 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one?
The InChIKey is ANJQOSPWFQMOAJ-UFWORHAWSA-N. The full InChI is InChI=1S/C16H9Cl2NO3/c17-11-5-10(16(21)13(18)7-11)8-19-12-2-3-14-9(6-12)1-4-15(20)22-14/h1-8,21H/b19-8+.
What are the key properties of 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one?
6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one has a molecular weight of 334.16 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dichloro-2-hydroxyphenyl)methylideneamino]chromen-2-one is sourced from PubChem (CID 2796493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).