7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one

C15H18O4 — CID 11777481

IUPAC7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
SMILESCCOCOc1cc2oc(=O)cc(C)c2cc1CC
InChIInChI=1S/C15H18O4/c1-4-11-7-12-10(3)6-15(16)19-14(12)8-13(11)18-9-17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyBWXHHOZNUYPUNE-UHFFFAOYSA-N
MW262.30 g/mol
LogP3.04
Rot. Bonds5

About 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one

7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one (PubChem CID 11777481) has the molecular formula C15H18O4 and a molecular weight of 262.30 g/mol. Its IUPAC name is 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one.

Molecular Properties

Compound Name7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
PubChem CID11777481
Molecular FormulaC15H18O4
Molecular Weight262.30 g/mol
Exact Mass262.12
IUPAC Name7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one
SMILESCCOCOc1cc2oc(=O)cc(C)c2cc1CC
InChIInChI=1S/C15H18O4/c1-4-11-7-12-10(3)6-15(16)19-14(12)8-13(11)18-9-17-5-2/h6-8H,4-5,9H2,1-3H3
InChIKeyBWXHHOZNUYPUNE-UHFFFAOYSA-N
XLogP3.04
TPSA48.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.30
LogP ≤ 53.04
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

6-ethyl-4-methyl-7-pentoxychromen-2-one
CID 86046228
2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetic acid
CID 794317
7-diethoxyphosphinothioyloxy-6-ethyl-4-methylchromen-2-one
CID 10618237
4-methyl-6,7-dipropoxychromen-2-one
CID 4914961
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(2-phenoxyethoxy)acetate
CID 55757164
7-ethoxy-6-ethyl-4-phenylchromen-2-one
CID 2888002
(2S)-2-[[2-(6-ethyl-4-methyl-2-oxochromen-7-yl)oxyacetyl]amino]-2-phenylacetic acid
CID 981826
(6-ethyl-4-methyl-2-oxochromen-7-yl) 5-chlorothiophene-2-sulfonate
CID 8823386
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-amino-3-phenylpropanoate
CID 21180115
(6-ethyl-4-methyl-2-oxochromen-7-yl) 2-(3,4-dimethoxyphenyl)acetate
CID 55380662
ethyl 2-(6-chloro-4-methyl-2-oxochromen-7-yl)oxyacetate
CID 782904
6-ethyl-7-[[5-(4-methoxyanilino)-1,3,4-thiadiazol-2-yl]methoxy]-4-methylchromen-2-one
CID 10002406

Frequently Asked Questions

What is the IUPAC name of 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one?
The IUPAC name of 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one (CID 11777481) is 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one.
What is the SMILES notation for 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one?
The canonical SMILES for 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one is CCOCOc1cc2oc(=O)cc(C)c2cc1CC.
What is the InChIKey of 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one?
The InChIKey is BWXHHOZNUYPUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O4/c1-4-11-7-12-10(3)6-15(16)19-14(12)8-13(11)18-9-17-5-2/h6-8H,4-5,9H2,1-3H3.
What are the key properties of 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one?
7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one has a molecular weight of 262.30 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(ethoxymethoxy)-6-ethyl-4-methylchromen-2-one is sourced from PubChem (CID 11777481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).