6-ethyl-4-methyl-7-pentoxychromen-2-one

C17H22O3 — CID 86046228

IUPAC6-ethyl-4-methyl-7-pentoxychromen-2-one
SMILESCCCCCOc1cc2oc(=O)cc(C)c2cc1CC
InChIInChI=1S/C17H22O3/c1-4-6-7-8-19-15-11-16-14(10-13(15)5-2)12(3)9-17(18)20-16/h9-11H,4-8H2,1-3H3
InChIKeyVCQVVANGFICRAR-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.23
Rot. Bonds6

About 6-ethyl-4-methyl-7-pentoxychromen-2-one

6-ethyl-4-methyl-7-pentoxychromen-2-one (PubChem CID 86046228) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 6-ethyl-4-methyl-7-pentoxychromen-2-one.

Molecular Properties

Compound Name6-ethyl-4-methyl-7-pentoxychromen-2-one
PubChem CID86046228
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name6-ethyl-4-methyl-7-pentoxychromen-2-one
SMILESCCCCCOc1cc2oc(=O)cc(C)c2cc1CC
InChIInChI=1S/C17H22O3/c1-4-6-7-8-19-15-11-16-14(10-13(15)5-2)12(3)9-17(18)20-16/h9-11H,4-8H2,1-3H3
InChIKeyVCQVVANGFICRAR-UHFFFAOYSA-N
XLogP4.23
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-methyl-6-nitro-7-pentoxychromen-2-one
CID 19194754
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
CID 11777481
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317
6-decoxy-4-methylchromen-2-one
CID 3818631
6-butoxy-4-methylchromen-2-one
CID 91726871
7-diethoxyphosphinothioyloxy-6-ethyl-4-methylchromen-2-one
CID 10618237
4-hydroxy-6-octadecoxy-2-oxochromene-7-carbaldehyde
CID 59121378
4-(6-chloro-4-methyl-2-oxochromen-7-yl)oxybutanoic acid
CID 20990338
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(2-phenoxyethoxy)acetate
CID 55757164
7-butoxy-6-chloro-4-propylchromen-2-one
CID 2222811
(2S)-2-[[2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 981826

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-7-pentoxychromen-2-one?
The IUPAC name of 6-ethyl-4-methyl-7-pentoxychromen-2-one (CID 86046228) is 6-ethyl-4-methyl-7-pentoxychromen-2-one.
What is the SMILES notation for 6-ethyl-4-methyl-7-pentoxychromen-2-one?
The canonical SMILES for 6-ethyl-4-methyl-7-pentoxychromen-2-one is CCCCCOc1cc2oc(=O)cc(C)c2cc1CC.
What is the InChIKey of 6-ethyl-4-methyl-7-pentoxychromen-2-one?
The InChIKey is VCQVVANGFICRAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-4-6-7-8-19-15-11-16-14(10-13(15)5-2)12(3)9-17(18)20-16/h9-11H,4-8H2,1-3H3.
What are the key properties of 6-ethyl-4-methyl-7-pentoxychromen-2-one?
6-ethyl-4-methyl-7-pentoxychromen-2-one has a molecular weight of 274.36 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-7-pentoxychromen-2-one is sourced from PubChem (CID 86046228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).