6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one

C15H6Cl4O3 — CID 86186569

IUPAC6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one
SMILESO=c1cc(Oc2c(Cl)cccc2Cl)c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C15H6Cl4O3/c16-8-2-1-3-9(17)15(8)22-13-6-14(20)21-12-5-11(19)10(18)4-7(12)13/h1-6H
InChIKeyOZBVJNHGAQNDLG-UHFFFAOYSA-N
MW376.02 g/mol
LogP6.20
Rot. Bonds2

About 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one

6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one (PubChem CID 86186569) has the molecular formula C15H6Cl4O3 and a molecular weight of 376.02 g/mol. Its IUPAC name is 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one.

Molecular Properties

Compound Name6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one
PubChem CID86186569
Molecular FormulaC15H6Cl4O3
Molecular Weight376.02 g/mol
Exact Mass373.91
IUPAC Name6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one
SMILESO=c1cc(Oc2c(Cl)cccc2Cl)c2cc(Cl)c(Cl)cc2o1
InChIInChI=1S/C15H6Cl4O3/c16-8-2-1-3-9(17)15(8)22-13-6-14(20)21-12-5-11(19)10(18)4-7(12)13/h1-6H
InChIKeyOZBVJNHGAQNDLG-UHFFFAOYSA-N
XLogP6.20
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.02
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

6-butan-2-yloxy-4-(2,6-dichlorophenoxy)chromen-2-one
CID 86186497
4-(2,6-dichlorophenoxy)-5-(trifluoromethyl)chromen-2-one
CID 18977322
6,7-dichloro-4-hydroxychromen-2-one
CID 54738246
1,2-dichloro-3-(2,6-dichlorophenoxy)benzene
CID 72941859
3-chloro-5-methoxychromen-2-one
CID 165356903
6-chloro-4-hydroxy-7-methoxychromen-2-one
CID 57363219
7-bromo-4,6-dichlorochromen-2-one
CID 177310536
N-(3-chloro-2-methylphenyl)-2-(2-oxochromen-4-yl)oxypropanamide
CID 71462077
6-chloro-4-ethyl-7-phenylmethoxychromen-2-one
CID 886322
(4-methyl-2-oxochromen-7-yl) 2-chlorobenzoate
CID 802470
(2-oxo-7,8-dihydro-6H-cyclopenta[g]chromen-4-yl)methyl 2,6-dichlorobenzoate
CID 2629700
1,2,7,8-tetrachlorodibenzofuran
CID 100914536

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one?
The IUPAC name of 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one (CID 86186569) is 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one.
What is the SMILES notation for 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one?
The canonical SMILES for 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one is O=c1cc(Oc2c(Cl)cccc2Cl)c2cc(Cl)c(Cl)cc2o1.
What is the InChIKey of 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one?
The InChIKey is OZBVJNHGAQNDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6Cl4O3/c16-8-2-1-3-9(17)15(8)22-13-6-14(20)21-12-5-11(19)10(18)4-7(12)13/h1-6H.
What are the key properties of 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one?
6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one has a molecular weight of 376.02 g/mol, XLogP of 6.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-4-(2,6-dichlorophenoxy)chromen-2-one is sourced from PubChem (CID 86186569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).