4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one

C20H20O5 — CID 7699732

IUPAC4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCCOc3ccc(OC)cc3)ccc12
InChIInChI=1S/C20H20O5/c1-3-14-12-20(21)25-19-13-17(8-9-18(14)19)24-11-10-23-16-6-4-15(22-2)5-7-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyODARFIXWIRPIKX-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.82
Rot. Bonds7

About 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one

4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one (PubChem CID 7699732) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
PubChem CID7699732
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCCOc3ccc(OC)cc3)ccc12
InChIInChI=1S/C20H20O5/c1-3-14-12-20(21)25-19-13-17(8-9-18(14)19)24-11-10-23-16-6-4-15(22-2)5-7-16/h4-9,12-13H,3,10-11H2,1-2H3
InChIKeyODARFIXWIRPIKX-UHFFFAOYSA-N
XLogP3.82
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
2-(4-ethoxyphenoxy)ethyl-[(7-methoxy-2-oxochromen-4-yl)methyl]azanium
CID 9436663
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 7699613
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
4-[(tert-butylamino)methyl]-7-methoxychromen-2-one
CID 27149617
4-(iodomethyl)-7-methoxychromen-2-one
CID 129188629
(7-ethyl-2-oxochromen-4-yl)methyl 3-(4-methoxyphenoxy)propanoate
CID 46789081
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
(7-methoxy-2-oxochromen-4-yl)methyl-methylazanium
CID 8931836
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(3-methoxyphenyl)acetamide
CID 7699419
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one?
The IUPAC name of 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one (CID 7699732) is 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one.
What is the SMILES notation for 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one?
The canonical SMILES for 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one is CCc1cc(=O)oc2cc(OCCOc3ccc(OC)cc3)ccc12.
What is the InChIKey of 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one?
The InChIKey is ODARFIXWIRPIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c1-3-14-12-20(21)25-19-13-17(8-9-18(14)19)24-11-10-23-16-6-4-15(22-2)5-7-16/h4-9,12-13H,3,10-11H2,1-2H3.
What are the key properties of 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one?
4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one has a molecular weight of 340.38 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one is sourced from PubChem (CID 7699732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).