2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid

C17H10Cl2O5 — CID 7747825

IUPAC2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H10Cl2O5/c18-10-6-11-14(22)17(23-8-13(20)21)15(9-4-2-1-3-5-9)24-16(11)12(19)7-10/h1-7H,8H2,(H,20,21)
InChIKeySJVGAAPDLVXTDC-UHFFFAOYSA-N
MW365.17 g/mol
LogP4.23
Rot. Bonds4

About 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid

2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid (PubChem CID 7747825) has the molecular formula C17H10Cl2O5 and a molecular weight of 365.17 g/mol. Its IUPAC name is 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid.

Molecular Properties

Compound Name2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
PubChem CID7747825
Molecular FormulaC17H10Cl2O5
Molecular Weight365.17 g/mol
Exact Mass363.99
IUPAC Name2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
SMILESO=C(O)COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H10Cl2O5/c18-10-6-11-14(22)17(23-8-13(20)21)15(9-4-2-1-3-5-9)24-16(11)12(19)7-10/h1-7H,8H2,(H,20,21)
InChIKeySJVGAAPDLVXTDC-UHFFFAOYSA-N
XLogP4.23
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.17
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21001674
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
CID 7747832
methyl 3-[[2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetyl]amino]benzoate
CID 21001683
ethyl 4-[(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxymethyl]benzoate
CID 21001647
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
2-(4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 735034
6,8-dichloro-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001729
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 2-oxochromene-3-carboxylate
CID 21001638
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 3-methoxybenzoate
CID 21001633
6,8-dichloro-2-(4-methylphenyl)-3-[2-(3-nitrophenyl)-2-oxoethoxy]chromen-4-one
CID 21001730
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 3-(5-bromo-1,3-dioxoisoindol-2-yl)propanoate
CID 21001629

Frequently Asked Questions

What is the IUPAC name of 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The IUPAC name of 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid (CID 7747825) is 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid.
What is the SMILES notation for 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The canonical SMILES for 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid is O=C(O)COc1c(-c2ccccc2)oc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
The InChIKey is SJVGAAPDLVXTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2O5/c18-10-6-11-14(22)17(23-8-13(20)21)15(9-4-2-1-3-5-9)24-16(11)12(19)7-10/h1-7H,8H2,(H,20,21).
What are the key properties of 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid?
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid has a molecular weight of 365.17 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid is sourced from PubChem (CID 7747825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).