2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one

C16H10Cl2O3 — CID 7729084

IUPAC2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(Cl)cc3Cl)c(O)c(=O)c2c1
InChIInChI=1S/C16H10Cl2O3/c1-8-2-5-13-11(6-8)14(19)15(20)16(21-13)10-4-3-9(17)7-12(10)18/h2-7,20H,1H3
InChIKeyXAPUBLNWTMPQHB-UHFFFAOYSA-N
MW321.16 g/mol
LogP4.78
Rot. Bonds1

About 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one

2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one (PubChem CID 7729084) has the molecular formula C16H10Cl2O3 and a molecular weight of 321.16 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
PubChem CID7729084
Molecular FormulaC16H10Cl2O3
Molecular Weight321.16 g/mol
Exact Mass320.00
IUPAC Name2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one
SMILESCc1ccc2oc(-c3ccc(Cl)cc3Cl)c(O)c(=O)c2c1
InChIInChI=1S/C16H10Cl2O3/c1-8-2-5-13-11(6-8)14(19)15(20)16(21-13)10-4-3-9(17)7-12(10)18/h2-7,20H,1H3
InChIKeyXAPUBLNWTMPQHB-UHFFFAOYSA-N
XLogP4.78
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-chloro-3-hydroxy-2-(4-methyl-2-propan-2-yloxyphenyl)chromen-4-one
CID 118708576
2-(3,4-dihydroxyphenyl)-3-hydroxy-6-methylchromen-4-one
CID 18372894
9-chloro-2-methylbenzo[c]chromen-6-one
CID 10490538
2-(2-chlorophenyl)-3-hydroxychromen-4-one
CID 4915039
[2-(2-chlorophenyl)-6-methyl-4-oxochromen-3-yl] 3-(4-chlorophenyl)prop-2-enoate
CID 4123626
2-(2,4-dichlorophenyl)-4-methylphenol
CID 83130752
2-[5-(2,5-dichlorophenyl)furan-2-yl]-6-methylchromen-4-one
CID 2017751
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634
6-chloro-3-ethoxy-2-(4-methylphenyl)chromen-4-one
CID 7746663
N-[5-(2,4-dichlorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
CID 90081764
2-(2-benzyl-1,3-dioxol-4-yl)-3-hydroxy-6-methylchromen-4-one
CID 70157356
6-chloro-3-[(4-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 7746678

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one?
The IUPAC name of 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one (CID 7729084) is 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one?
The canonical SMILES for 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one is Cc1ccc2oc(-c3ccc(Cl)cc3Cl)c(O)c(=O)c2c1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one?
The InChIKey is XAPUBLNWTMPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2O3/c1-8-2-5-13-11(6-8)14(19)15(20)16(21-13)10-4-3-9(17)7-12(10)18/h2-7,20H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one?
2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one has a molecular weight of 321.16 g/mol, XLogP of 4.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-3-hydroxy-6-methylchromen-4-one is sourced from PubChem (CID 7729084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).