2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid

C17H10Cl2O5 — CID 3384543

IUPAC2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)c(O)c(=O)c2c1
InChIInChI=1S/C17H10Cl2O5/c18-10-3-1-9(2-4-10)16-15(23)14(22)11-5-8(7-13(20)21)6-12(19)17(11)24-16/h1-6,23H,7H2,(H,20,21)
InChIKeyYHOZDLYYCYXKEK-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.10
Rot. Bonds3

About 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid

2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid (PubChem CID 3384543) has the molecular formula C17H10Cl2O5 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid.

Molecular Properties

Compound Name2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid
PubChem CID3384543
Molecular FormulaC17H10Cl2O5
Molecular Weight365.17 g/mol
Exact Mass363.99
IUPAC Name2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid
SMILESO=C(O)Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)c(O)c(=O)c2c1
InChIInChI=1S/C17H10Cl2O5/c18-10-3-1-9(2-4-10)16-15(23)14(22)11-5-8(7-13(20)21)6-12(19)17(11)24-16/h1-6,23H,7H2,(H,20,21)
InChIKeyYHOZDLYYCYXKEK-UHFFFAOYSA-N
XLogP4.10
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid?
The IUPAC name of 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid (CID 3384543) is 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid.
What is the SMILES notation for 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid?
The canonical SMILES for 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid is O=C(O)Cc1cc(Cl)c2oc(-c3ccc(Cl)cc3)c(O)c(=O)c2c1.
What is the InChIKey of 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid?
The InChIKey is YHOZDLYYCYXKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O5/c18-10-3-1-9(2-4-10)16-15(23)14(22)11-5-8(7-13(20)21)6-12(19)17(11)24-16/h1-6,23H,7H2,(H,20,21).
What are the key properties of 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid?
2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid has a molecular weight of 365.17 g/mol, XLogP of 4.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-chloro-2-(4-chlorophenyl)-3-hydroxy-4-oxochromen-6-yl]acetic acid is sourced from PubChem (CID 3384543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).