5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate

C23H17O7- — CID 7138904

IUPAC5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
SMILESCCc1ccc(Oc2coc3cc(OCc4ccc(C(=O)[O-])o4)ccc3c2=O)cc1
InChIInChI=1S/C23H18O7/c1-2-14-3-5-15(6-4-14)29-21-13-28-20-11-16(7-9-18(20)22(21)24)27-12-17-8-10-19(30-17)23(25)26/h3-11,13H,2,12H2,1H3,(H,25,26)/p-1
InChIKeyDASFPORKLFTAFP-UHFFFAOYSA-M
MW405.38 g/mol
LogP3.68
Rot. Bonds7

About 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate

5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate (PubChem CID 7138904) has the molecular formula C23H17O7- and a molecular weight of 405.38 g/mol. Its IUPAC name is 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate.

Molecular Properties

Compound Name5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
PubChem CID7138904
Molecular FormulaC23H17O7-
Molecular Weight405.38 g/mol
Exact Mass405.10
IUPAC Name5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
SMILESCCc1ccc(Oc2coc3cc(OCc4ccc(C(=O)[O-])o4)ccc3c2=O)cc1
InChIInChI=1S/C23H18O7/c1-2-14-3-5-15(6-4-14)29-21-13-28-20-11-16(7-9-18(20)22(21)24)27-12-17-8-10-19(30-17)23(25)26/h3-11,13H,2,12H2,1H3,(H,25,26)/p-1
InChIKeyDASFPORKLFTAFP-UHFFFAOYSA-M
XLogP3.68
TPSA101.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[[3-(3,5-dimethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138884
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7138892
5-[[3-(4-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138917
5-[[3-(2,5-dichlorophenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate
CID 7895948
5-[[3-[4-(2-methylbutan-2-yl)phenoxy]-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7895955
5-[[3-(3-methylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylic acid
CID 7138893
butan-2-yl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxyacetate
CID 4574769
methyl 2-[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxypropanoate
CID 2918253
7-[[4-[hydroxy(oxido)amino]phenyl]methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 163138200
7-[(4-fluorophenyl)methoxy]-3-(4-methoxyphenoxy)chromen-4-one
CID 1182864
7-ethoxy-3-(4-methoxyphenoxy)chromen-4-one
CID 719937
[3-(4-ethylphenoxy)-4-oxochromen-7-yl] 3-(3,4-dichlorophenyl)prop-2-enoate
CID 3488155

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The IUPAC name of 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate (CID 7138904) is 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate.
What is the SMILES notation for 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The canonical SMILES for 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate is CCc1ccc(Oc2coc3cc(OCc4ccc(C(=O)[O-])o4)ccc3c2=O)cc1.
What is the InChIKey of 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
The InChIKey is DASFPORKLFTAFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C23H18O7/c1-2-14-3-5-15(6-4-14)29-21-13-28-20-11-16(7-9-18(20)22(21)24)27-12-17-8-10-19(30-17)23(25)26/h3-11,13H,2,12H2,1H3,(H,25,26)/p-1.
What are the key properties of 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate?
5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate has a molecular weight of 405.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(4-ethylphenoxy)-4-oxochromen-7-yl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 7138904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).