6-ethoxy-4-propylchromen-2-one

C14H16O3 — CID 134087770

IUPAC6-ethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2ccc(OCC)cc12
InChIInChI=1S/C14H16O3/c1-3-5-10-8-14(15)17-13-7-6-11(16-4-2)9-12(10)13/h6-9H,3-5H2,1-2H3
InChIKeyBLGFIPISSYPFAJ-UHFFFAOYSA-N
MW232.28 g/mol
LogP3.14
Rot. Bonds4

About 6-ethoxy-4-propylchromen-2-one

6-ethoxy-4-propylchromen-2-one (PubChem CID 134087770) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is 6-ethoxy-4-propylchromen-2-one.

Molecular Properties

Compound Name6-ethoxy-4-propylchromen-2-one
PubChem CID134087770
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Name6-ethoxy-4-propylchromen-2-one
SMILESCCCc1cc(=O)oc2ccc(OCC)cc12
InChIInChI=1S/C14H16O3/c1-3-5-10-8-14(15)17-13-7-6-11(16-4-2)9-12(10)13/h6-9H,3-5H2,1-2H3
InChIKeyBLGFIPISSYPFAJ-UHFFFAOYSA-N
XLogP3.14
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-ethoxy-4-[(4-ethoxy-N-methylanilino)methyl]chromen-2-one
CID 23606545
6-ethoxy-4-methoxychromen-2-one
CID 90255456
4-[(4-benzylpiperazin-1-yl)methyl]-6-ethoxychromen-2-one
CID 6463453
3-[(6-ethoxy-2-oxochromen-4-yl)methyl-methylamino]propanenitrile
CID 6463388
4-(chloromethyl)-7-ethoxychromen-2-one
CID 71339287
4-(2-bromoethyl)-6-methoxychromen-2-one
CID 174375390
N-[(4-ethoxyphenyl)methyl]-N-methyl-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 26024046
6-butoxy-4-methylchromen-2-one
CID 91726871
7-[(4-bromophenyl)methoxy]-4-propylchromen-2-one
CID 22310572
7-(naphthalen-1-ylmethoxy)-4-propylchromen-2-one
CID 7917681
2-ethoxyxanthen-9-one
CID 14150405
4-butyl-6-methylchromen-2-one
CID 6613364

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-propylchromen-2-one?
The IUPAC name of 6-ethoxy-4-propylchromen-2-one (CID 134087770) is 6-ethoxy-4-propylchromen-2-one.
What is the SMILES notation for 6-ethoxy-4-propylchromen-2-one?
The canonical SMILES for 6-ethoxy-4-propylchromen-2-one is CCCc1cc(=O)oc2ccc(OCC)cc12.
What is the InChIKey of 6-ethoxy-4-propylchromen-2-one?
The InChIKey is BLGFIPISSYPFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-5-10-8-14(15)17-13-7-6-11(16-4-2)9-12(10)13/h6-9H,3-5H2,1-2H3.
What are the key properties of 6-ethoxy-4-propylchromen-2-one?
6-ethoxy-4-propylchromen-2-one has a molecular weight of 232.28 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-propylchromen-2-one is sourced from PubChem (CID 134087770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).