2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one

C22H25NO5 — CID 90681219

IUPAC2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN(C)C)cc3)oc2c1
InChIInChI=1S/C22H25NO5/c1-23(2)10-5-11-27-16-8-6-15(7-9-16)19-14-18(24)22-20(26-4)12-17(25-3)13-21(22)28-19/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyUAOXBVRXLNUOCV-UHFFFAOYSA-N
MW383.44 g/mol
LogP3.81
Rot. Bonds8

About 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one

2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one (PubChem CID 90681219) has the molecular formula C22H25NO5 and a molecular weight of 383.44 g/mol. Its IUPAC name is 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one.

Molecular Properties

Compound Name2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
PubChem CID90681219
Molecular FormulaC22H25NO5
Molecular Weight383.44 g/mol
Exact Mass383.17
IUPAC Name2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one
SMILESCOc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN(C)C)cc3)oc2c1
InChIInChI=1S/C22H25NO5/c1-23(2)10-5-11-27-16-8-6-15(7-9-16)19-14-18(24)22-20(26-4)12-17(25-3)13-21(22)28-19/h6-9,12-14H,5,10-11H2,1-4H3
InChIKeyUAOXBVRXLNUOCV-UHFFFAOYSA-N
XLogP3.81
TPSA61.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5,7-dimethoxy-2-(4-methylphenyl)chromen-4-one
CID 11623517
2-(3,4-dimethoxyphenyl)-5,7-dimethoxychromen-4-one
CID 158796402
[5-methoxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl] acetate
CID 162873307
8-[2-[4-[3-(dimethylamino)propoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyoctanamide
CID 162668963
2-[4-[6-[benzyl(methyl)amino]hexoxy]phenyl]-5,6,7-trimethoxychromen-4-one
CID 122177812
5,7-diethoxy-2-(4-ethoxyphenyl)chromen-4-one
CID 174788047
5,6,7-trimethoxy-2-[4-[6-[(2-methoxyphenyl)methyl-methylamino]hexoxy]phenyl]chromen-4-one
CID 122177814
5-methoxy-2-[4-(3-piperidin-1-ylpropoxy)phenyl]chromen-4-one
CID 147416054
5,7-dimethoxy-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
CID 162954034
5,7-dimethoxy-2-(1H-pyrazol-5-yl)chromen-4-one
CID 54102075
2-[4-(2,3-dihydroxypropoxy)phenyl]-5-methoxy-7-methylchromen-4-one
CID 130230703
2-(3,4-dimethoxyphenyl)-7-(2-hydroxyethoxy)-5-methoxychromen-4-one;2-(3,4-dimethoxyphenyl)-7-hydroxy-5-methoxychromen-4-one
CID 157085920

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one?
The IUPAC name of 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one (CID 90681219) is 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one.
What is the SMILES notation for 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one?
The canonical SMILES for 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one is COc1cc(OC)c2c(=O)cc(-c3ccc(OCCCN(C)C)cc3)oc2c1.
What is the InChIKey of 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one?
The InChIKey is UAOXBVRXLNUOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO5/c1-23(2)10-5-11-27-16-8-6-15(7-9-16)19-14-18(24)22-20(26-4)12-17(25-3)13-21(22)28-19/h6-9,12-14H,5,10-11H2,1-4H3.
What are the key properties of 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one?
2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one has a molecular weight of 383.44 g/mol, XLogP of 3.81, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(dimethylamino)propoxy]phenyl]-5,7-dimethoxychromen-4-one is sourced from PubChem (CID 90681219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).