4-ethyl-7-prop-2-enoxychromen-2-one

C14H14O3 — CID 20566397

IUPAC4-ethyl-7-prop-2-enoxychromen-2-one
SMILESC=CCOc1ccc2c(CC)cc(=O)oc2c1
InChIInChI=1S/C14H14O3/c1-3-7-16-11-5-6-12-10(4-2)8-14(15)17-13(12)9-11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyZFLFXXJUJYMPAZ-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.92
Rot. Bonds4

About 4-ethyl-7-prop-2-enoxychromen-2-one

4-ethyl-7-prop-2-enoxychromen-2-one (PubChem CID 20566397) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 4-ethyl-7-prop-2-enoxychromen-2-one.

Molecular Properties

Compound Name4-ethyl-7-prop-2-enoxychromen-2-one
PubChem CID20566397
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name4-ethyl-7-prop-2-enoxychromen-2-one
SMILESC=CCOc1ccc2c(CC)cc(=O)oc2c1
InChIInChI=1S/C14H14O3/c1-3-7-16-11-5-6-12-10(4-2)8-14(15)17-13(12)9-11/h3,5-6,8-9H,1,4,7H2,2H3
InChIKeyZFLFXXJUJYMPAZ-UHFFFAOYSA-N
XLogP2.92
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-7-[2-(4-methoxyphenoxy)ethoxy]chromen-2-one
CID 7699732
4-ethyl-7-(2-phenoxyethoxy)chromen-2-one
CID 112788238
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
butyl 2-(4-ethyl-2-oxochromen-7-yl)oxyacetate
CID 40545622
N-[(2R)-butan-2-yl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699693
5-[(4-ethyl-2-oxochromen-7-yl)oxymethyl]furan-2-carboxylic acid
CID 705665
7-(1,3-benzoxazol-2-ylmethoxy)-4-ethylchromen-2-one
CID 9354998
3-(4-methyl-2-oxochromen-7-yl)oxy-7-prop-2-enoxychromen-4-one
CID 23988699
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(propylcarbamoyl)acetamide
CID 41402767
4-butyl-7-(2-methylprop-2-enoxy)chromen-2-one
CID 2183827
2-(4-ethyl-2-oxochromen-7-yl)oxy-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2695574

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-prop-2-enoxychromen-2-one?
The IUPAC name of 4-ethyl-7-prop-2-enoxychromen-2-one (CID 20566397) is 4-ethyl-7-prop-2-enoxychromen-2-one.
What is the SMILES notation for 4-ethyl-7-prop-2-enoxychromen-2-one?
The canonical SMILES for 4-ethyl-7-prop-2-enoxychromen-2-one is C=CCOc1ccc2c(CC)cc(=O)oc2c1.
What is the InChIKey of 4-ethyl-7-prop-2-enoxychromen-2-one?
The InChIKey is ZFLFXXJUJYMPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-3-7-16-11-5-6-12-10(4-2)8-14(15)17-13(12)9-11/h3,5-6,8-9H,1,4,7H2,2H3.
What are the key properties of 4-ethyl-7-prop-2-enoxychromen-2-one?
4-ethyl-7-prop-2-enoxychromen-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-prop-2-enoxychromen-2-one is sourced from PubChem (CID 20566397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).