6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one

C17H10Cl4O3 — CID 2121643

IUPAC6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one
SMILESCc1c(COc2ccc(Cl)cc2Cl)oc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H10Cl4O3/c1-8-15(7-23-14-3-2-9(18)5-12(14)20)24-17-11(16(8)22)4-10(19)6-13(17)21/h2-6H,7H2,1H3
InChIKeyKSAAAONQXYVPJN-UHFFFAOYSA-N
MW404.08 g/mol
LogP6.29
Rot. Bonds3

About 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one

6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one (PubChem CID 2121643) has the molecular formula C17H10Cl4O3 and a molecular weight of 404.08 g/mol. Its IUPAC name is 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one
PubChem CID2121643
Molecular FormulaC17H10Cl4O3
Molecular Weight404.08 g/mol
Exact Mass401.94
IUPAC Name6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one
SMILESCc1c(COc2ccc(Cl)cc2Cl)oc2c(Cl)cc(Cl)cc2c1=O
InChIInChI=1S/C17H10Cl4O3/c1-8-15(7-23-14-3-2-9(18)5-12(14)20)24-17-11(16(8)22)4-10(19)6-13(17)21/h2-6H,7H2,1H3
InChIKeyKSAAAONQXYVPJN-UHFFFAOYSA-N
XLogP6.29
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.08
LogP ≤ 56.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one
CID 2121650
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
3,6,8-trichloro-2-(3-methoxy-4-prop-2-enoxyphenyl)chromen-4-one
CID 71609165
4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
CID 25154800
2,4-dichloro-1-ethoxybenzene;formic acid
CID 145046183
6,8-dichloro-3-[(3-methylphenyl)methoxy]-2-phenylchromen-4-one
CID 7747823
ethyl 2-(2,4-dichlorophenoxy)acetate
CID 10780
3-[(2,4-dichlorophenoxy)methyl]-4-ethylaniline
CID 12526908
5-[(2,4-dichlorophenoxy)methyl]-N-ethylfuran-2-carboxamide
CID 19456984
[4-[(2,4-dichlorophenoxy)methyl]-5-methylthiophen-2-yl]methanamine
CID 80728704
2,4-dichloro-1-(methylsulfinylmethoxy)benzene
CID 68577849

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one?
The IUPAC name of 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one (CID 2121643) is 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one.
What is the SMILES notation for 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one?
The canonical SMILES for 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one is Cc1c(COc2ccc(Cl)cc2Cl)oc2c(Cl)cc(Cl)cc2c1=O.
What is the InChIKey of 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one?
The InChIKey is KSAAAONQXYVPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4O3/c1-8-15(7-23-14-3-2-9(18)5-12(14)20)24-17-11(16(8)22)4-10(19)6-13(17)21/h2-6H,7H2,1H3.
What are the key properties of 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one?
6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one has a molecular weight of 404.08 g/mol, XLogP of 6.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-[(2,4-dichlorophenoxy)methyl]-3-methylchromen-4-one is sourced from PubChem (CID 2121643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).