2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one

C18H15ClO6 — CID 59152476

IUPAC2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
SMILESCOCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(Cl)c3)oc2c1
InChIInChI=1S/C18H15ClO6/c1-22-9-24-11-6-13(20)18-14(21)8-16(25-17(18)7-11)10-3-4-15(23-2)12(19)5-10/h3-8,20H,9H2,1-2H3
InChIKeyRMOSZFIXWAVBDA-UHFFFAOYSA-N
MW362.77 g/mol
LogP3.81
Rot. Bonds5

About 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one

2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one (PubChem CID 59152476) has the molecular formula C18H15ClO6 and a molecular weight of 362.77 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
PubChem CID59152476
Molecular FormulaC18H15ClO6
Molecular Weight362.77 g/mol
Exact Mass362.06
IUPAC Name2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one
SMILESCOCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(Cl)c3)oc2c1
InChIInChI=1S/C18H15ClO6/c1-22-9-24-11-6-13(20)18-14(21)8-16(25-17(18)7-11)10-3-4-15(23-2)12(19)5-10/h3-8,20H,9H2,1-2H3
InChIKeyRMOSZFIXWAVBDA-UHFFFAOYSA-N
XLogP3.81
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.77
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(3-amino-4-methoxyphenyl)-5-hydroxy-7-methoxychromen-4-one
CID 44583449
tert-butyl 2-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetate
CID 69027346
5-hydroxy-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
CID 5281617
7-(2,3-dihydroxypropoxy)-5-hydroxy-2-(4-methoxy-3-propoxyphenyl)chromen-4-one
CID 19049226
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
CID 12794885
2-[4-[7-(cyanomethoxy)-5-hydroxy-4-oxochromen-2-yl]-2-hydroxyphenoxy]acetonitrile
CID 175017796
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920
2-[2-(3-cyclopentyloxy-4-methoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyacetonitrile
CID 15389638
[5-[7-(2,3-dihydroxypropoxy)-5-hydroxy-4-oxochromen-2-yl]-2-methoxyphenyl] 2-methylpropanoate
CID 19049260
2-(3,4-dichlorophenyl)-5-methoxychromen-4-one
CID 10041721
2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromen-4-one;methoxymethane
CID 67363741
5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)chromen-4-one
CID 100995351

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one (CID 59152476) is 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one is COCOc1cc(O)c2c(=O)cc(-c3ccc(OC)c(Cl)c3)oc2c1.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one?
The InChIKey is RMOSZFIXWAVBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO6/c1-22-9-24-11-6-13(20)18-14(21)8-16(25-17(18)7-11)10-3-4-15(23-2)12(19)5-10/h3-8,20H,9H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one?
2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one has a molecular weight of 362.77 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-5-hydroxy-7-(methoxymethoxy)chromen-4-one is sourced from PubChem (CID 59152476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).