4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one

C17H12Cl2O4 — CID 25154800

IUPAC4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)cc(COc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C17H12Cl2O4/c1-21-12-3-5-15-13(8-12)10(6-17(20)23-15)9-22-16-4-2-11(18)7-14(16)19/h2-8H,9H2,1H3
InChIKeyZXZDKQUHERTBCH-UHFFFAOYSA-N
MW351.19 g/mol
LogP4.69
Rot. Bonds4

About 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one

4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one (PubChem CID 25154800) has the molecular formula C17H12Cl2O4 and a molecular weight of 351.19 g/mol. Its IUPAC name is 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one.

Molecular Properties

Compound Name4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
PubChem CID25154800
Molecular FormulaC17H12Cl2O4
Molecular Weight351.19 g/mol
Exact Mass350.01
IUPAC Name4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)cc(COc3ccc(Cl)cc3Cl)c2c1
InChIInChI=1S/C17H12Cl2O4/c1-21-12-3-5-15-13(8-12)10(6-17(20)23-15)9-22-16-4-2-11(18)7-14(16)19/h2-8H,9H2,1H3
InChIKeyZXZDKQUHERTBCH-UHFFFAOYSA-N
XLogP4.69
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.19
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-acetyl-4-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 4998771
(7-methoxy-2-oxochromen-4-yl)methyl 2-(2,4-dichlorophenoxy)acetate
CID 5154223
4-[(4-chloro-2-nitrophenoxy)methyl]-7-methoxychromen-2-one
CID 7979890
4-[(3-chlorophenoxy)methyl]-7-methoxychromen-2-one
CID 7818890
4-[(2,4-dichlorophenoxy)methyl]-7-hydroxy-8-methylchromen-2-one
CID 18291345
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
6-chloro-4-[(2,4,6-tribromophenoxy)methyl]chromen-2-one
CID 25194314
(4-ethyl-2-oxochromen-7-yl) 2-(2,4-dichlorophenoxy)acetate
CID 7925899
6,7-dimethyl-4-[(2,4,5-trichlorophenoxy)methyl]chromen-2-one
CID 7832785
6-methoxy-4-[[4-(pyridin-2-ylmethylideneamino)phenoxy]methyl]chromen-2-one
CID 155813745
6-chloro-7-[(4-chlorophenyl)methoxy]-4-ethylchromen-2-one
CID 23824130
4-[(4-bromo-2-chlorophenoxy)methyl]-7-methylchromen-2-one
CID 3390826

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one?
The IUPAC name of 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one (CID 25154800) is 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one.
What is the SMILES notation for 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one?
The canonical SMILES for 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one is COc1ccc2oc(=O)cc(COc3ccc(Cl)cc3Cl)c2c1.
What is the InChIKey of 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one?
The InChIKey is ZXZDKQUHERTBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2O4/c1-21-12-3-5-15-13(8-12)10(6-17(20)23-15)9-22-16-4-2-11(18)7-14(16)19/h2-8H,9H2,1H3.
What are the key properties of 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one?
4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one has a molecular weight of 351.19 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dichlorophenoxy)methyl]-6-methoxychromen-2-one is sourced from PubChem (CID 25154800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).