4-ethyl-7-(2-phenoxyethoxy)chromen-2-one

C19H18O4 — CID 112788238

IUPAC4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCCOc3ccccc3)ccc12
InChIInChI=1S/C19H18O4/c1-2-14-12-19(20)23-18-13-16(8-9-17(14)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3
InChIKeySZDJUXJISWTFOF-UHFFFAOYSA-N
MW310.35 g/mol
LogP3.81
Rot. Bonds6

About 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one

4-ethyl-7-(2-phenoxyethoxy)chromen-2-one (PubChem CID 112788238) has the molecular formula C19H18O4 and a molecular weight of 310.35 g/mol. Its IUPAC name is 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
PubChem CID112788238
Molecular FormulaC19H18O4
Molecular Weight310.35 g/mol
Exact Mass310.12
IUPAC Name4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
SMILESCCc1cc(=O)oc2cc(OCCOc3ccccc3)ccc12
InChIInChI=1S/C19H18O4/c1-2-14-12-19(20)23-18-13-16(8-9-17(14)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3
InChIKeySZDJUXJISWTFOF-UHFFFAOYSA-N
XLogP3.81
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-ethyl-7-prop-2-enoxychromen-2-one
CID 20566397
3,4-dimethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 11843295
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
7-ethyl-4-[(2-phenoxyethylamino)methyl]chromen-2-one
CID 9256149
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
2-[7-(2-hydroxyethoxy)-2-oxochromen-4-yl]acetic acid
CID 90350628
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 705665
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 2695560
(4-ethyl-2-oxochromen-7-yl) 2-(3-fluorophenoxy)acetate
CID 8879849
4-amino-7-butoxychromen-2-one
CID 175494716

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one?
The IUPAC name of 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one (CID 112788238) is 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one.
What is the SMILES notation for 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one?
The canonical SMILES for 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one is CCc1cc(=O)oc2cc(OCCOc3ccccc3)ccc12.
What is the InChIKey of 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one?
The InChIKey is SZDJUXJISWTFOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O4/c1-2-14-12-19(20)23-18-13-16(8-9-17(14)18)22-11-10-21-15-6-4-3-5-7-15/h3-9,12-13H,2,10-11H2,1H3.
What are the key properties of 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one?
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one has a molecular weight of 310.35 g/mol, XLogP of 3.81, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-(2-phenoxyethoxy)chromen-2-one is sourced from PubChem (CID 112788238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).