ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate

C16H18O5 — CID 14844842

IUPACethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
SMILESCCOC(=O)CCCc1coc2cc(OC)ccc2c1=O
InChIInChI=1S/C16H18O5/c1-3-20-15(17)6-4-5-11-10-21-14-9-12(19-2)7-8-13(14)16(11)18/h7-10H,3-6H2,1-2H3
InChIKeyLNJFCSOKEMFZPR-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.69
Rot. Bonds6

About ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate

ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate (PubChem CID 14844842) has the molecular formula C16H18O5 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate.

Molecular Properties

Compound Nameethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
PubChem CID14844842
Molecular FormulaC16H18O5
Molecular Weight290.32 g/mol
Exact Mass290.12
IUPAC Nameethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate
SMILESCCOC(=O)CCCc1coc2cc(OC)ccc2c1=O
InChIInChI=1S/C16H18O5/c1-3-20-15(17)6-4-5-11-10-21-14-9-12(19-2)7-8-13(14)16(11)18/h7-10H,3-6H2,1-2H3
InChIKeyLNJFCSOKEMFZPR-UHFFFAOYSA-N
XLogP2.69
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
ethyl 5-(7-acetyloxy-2-methyl-4-oxochromen-3-yl)pentanoate
CID 14844856
[4-(7-methoxy-4-oxochromen-3-yl)phenyl] octadecanoate
CID 46887096
2-oxopropyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 55327046
ethyl 2-[6-(3-methoxyphenoxy)benzo[f][1]benzofuran-3-yl]acetate
CID 158821566
[3-[(4-methoxyphenyl)methyl]-4-oxochromen-7-yl] (10E,12Z)-octadeca-10,12-dienoate
CID 54581075
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
N-(7-methoxy-4-oxochromen-3-yl)-2-oxoacetamide
CID 88798490
benzyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 8961126
(4-ethyl-2-oxochromen-7-yl) 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7925896
(2,5-dimethylphenyl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate
CID 7902091
ethyl 4-(4-chlorooxy-2-methylphenyl)butanoate
CID 174385109

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate?
The IUPAC name of ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate (CID 14844842) is ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate.
What is the SMILES notation for ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate?
The canonical SMILES for ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate is CCOC(=O)CCCc1coc2cc(OC)ccc2c1=O.
What is the InChIKey of ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate?
The InChIKey is LNJFCSOKEMFZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O5/c1-3-20-15(17)6-4-5-11-10-21-14-9-12(19-2)7-8-13(14)16(11)18/h7-10H,3-6H2,1-2H3.
What are the key properties of ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate?
ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate has a molecular weight of 290.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(7-methoxy-4-oxochromen-3-yl)butanoate is sourced from PubChem (CID 14844842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).