ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate

C23H24O6 — CID 3922235

IUPACethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate
SMILESCCCOc1ccc(-c2coc3cc(OC(C)C(=O)OCC)ccc3c2=O)cc1
InChIInChI=1S/C23H24O6/c1-4-12-27-17-8-6-16(7-9-17)20-14-28-21-13-18(10-11-19(21)22(20)24)29-15(3)23(25)26-5-2/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyZFZCWYGRKPCBFT-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.58
Rot. Bonds8

About ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate

ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate (PubChem CID 3922235) has the molecular formula C23H24O6 and a molecular weight of 396.44 g/mol. Its IUPAC name is ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate.

Molecular Properties

Compound Nameethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate
PubChem CID3922235
Molecular FormulaC23H24O6
Molecular Weight396.44 g/mol
Exact Mass396.16
IUPAC Nameethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate
SMILESCCCOc1ccc(-c2coc3cc(OC(C)C(=O)OCC)ccc3c2=O)cc1
InChIInChI=1S/C23H24O6/c1-4-12-27-17-8-6-16(7-9-17)20-14-28-21-13-18(10-11-19(21)22(20)24)29-15(3)23(25)26-5-2/h6-11,13-15H,4-5,12H2,1-3H3
InChIKeyZFZCWYGRKPCBFT-UHFFFAOYSA-N
XLogP4.58
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[7-[2-(carboxymethoxy)ethoxy]-4-oxochromen-3-yl]phenoxy]propanoic acid
CID 147068977
2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 2792629
(2R)-2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoic acid
CID 693182
2-[4-[7-[2-(carboxymethoxy)ethoxy]-4-oxochromen-3-yl]phenoxy]propanoyloxidanium
CID 147068976
3-(4-ethoxyphenyl)-7-hydroxychromen-4-one
CID 71406499
propyl 2-[4-oxo-3-(4-phenylphenoxy)chromen-7-yl]oxypropanoate
CID 4106290
ethyl (2R)-2-[3-(4-methoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 1184521
[3-(4-decoxyphenyl)-4-oxochromen-7-yl] decanoate
CID 100957035
methyl (2S)-2-[3-(4-ethoxyphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 984092
cyclohexyl 2-[3-(4-chlorophenyl)-4-oxochromen-7-yl]oxypropanoate
CID 2788889
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate?
The IUPAC name of ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate (CID 3922235) is ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate.
What is the SMILES notation for ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate?
The canonical SMILES for ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate is CCCOc1ccc(-c2coc3cc(OC(C)C(=O)OCC)ccc3c2=O)cc1.
What is the InChIKey of ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate?
The InChIKey is ZFZCWYGRKPCBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O6/c1-4-12-27-17-8-6-16(7-9-17)20-14-28-21-13-18(10-11-19(21)22(20)24)29-15(3)23(25)26-5-2/h6-11,13-15H,4-5,12H2,1-3H3.
What are the key properties of ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate?
ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate has a molecular weight of 396.44 g/mol, XLogP of 4.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-oxo-3-(4-propoxyphenyl)chromen-7-yl]oxypropanoate is sourced from PubChem (CID 3922235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).