2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one

C15H10Cl2O4 — CID 171343097

IUPAC2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cccc(O)c21
InChIInChI=1S/C15H10Cl2O4/c16-8-4-7(5-9(17)15(8)20)13-6-11(19)14-10(18)2-1-3-12(14)21-13/h1-5,13,18,20H,6H2
InChIKeyUQCMHPGIODKFPJ-UHFFFAOYSA-N
MW325.15 g/mol
LogP4.11
Rot. Bonds1

About 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one

2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one (PubChem CID 171343097) has the molecular formula C15H10Cl2O4 and a molecular weight of 325.15 g/mol. Its IUPAC name is 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
PubChem CID171343097
Molecular FormulaC15H10Cl2O4
Molecular Weight325.15 g/mol
Exact Mass324.00
IUPAC Name2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one
SMILESO=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cccc(O)c21
InChIInChI=1S/C15H10Cl2O4/c16-8-4-7(5-9(17)15(8)20)13-6-11(19)14-10(18)2-1-3-12(14)21-13/h1-5,13,18,20H,6H2
InChIKeyUQCMHPGIODKFPJ-UHFFFAOYSA-N
XLogP4.11
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one?
The IUPAC name of 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one (CID 171343097) is 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one.
What is the SMILES notation for 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one?
The canonical SMILES for 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one is O=C1CC(c2cc(Cl)c(O)c(Cl)c2)Oc2cccc(O)c21.
What is the InChIKey of 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one?
The InChIKey is UQCMHPGIODKFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O4/c16-8-4-7(5-9(17)15(8)20)13-6-11(19)14-10(18)2-1-3-12(14)21-13/h1-5,13,18,20H,6H2.
What are the key properties of 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one?
2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one has a molecular weight of 325.15 g/mol, XLogP of 4.11, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-4-hydroxyphenyl)-5-hydroxy-2,3-dihydrochromen-4-one is sourced from PubChem (CID 171343097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).