methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate

C23H18O7 — CID 71753565

IUPACmethyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3cc4cc(OC)ccc4oc3=O)cc2)o1
InChIInChI=1S/C23H18O7/c1-26-17-7-9-20-15(11-17)12-19(22(24)30-20)14-3-5-16(6-4-14)28-13-18-8-10-21(29-18)23(25)27-2/h3-12H,13H2,1-2H3
InChIKeyVBONQQSPRCGCQD-UHFFFAOYSA-N
MW406.39 g/mol
LogP4.43
Rot. Bonds6

About methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate

methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate (PubChem CID 71753565) has the molecular formula C23H18O7 and a molecular weight of 406.39 g/mol. Its IUPAC name is methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate
PubChem CID71753565
Molecular FormulaC23H18O7
Molecular Weight406.39 g/mol
Exact Mass406.11
IUPAC Namemethyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3cc4cc(OC)ccc4oc3=O)cc2)o1
InChIInChI=1S/C23H18O7/c1-26-17-7-9-20-15(11-17)12-19(22(24)30-20)14-3-5-16(6-4-14)28-13-18-8-10-21(29-18)23(25)27-2/h3-12H,13H2,1-2H3
InChIKeyVBONQQSPRCGCQD-UHFFFAOYSA-N
XLogP4.43
TPSA88.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

Analyze methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate with MolForge

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Related Compounds

1-[2-[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]acetyl]piperidin-4-one
CID 42534542
3-[4-[2-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-oxoethoxy]phenyl]-6-methoxychromen-2-one
CID 45371283
methyl 5-[[4-(4-chlorobenzoyl)phenoxy]methyl]furan-2-carboxylate
CID 7919225
3-[4-[(3-fluorophenyl)methoxy]phenyl]-6-methylchromen-2-one
CID 127034731
7-(3-hydroxypropyl)-3-(4-methoxyphenyl)chromen-2-one
CID 58402410
(5-methoxycarbonylfuran-2-yl)methyl 2-oxochromene-3-carboxylate
CID 8707757
5-[(3,5-dimethoxyphenoxy)methyl]furan-2-carbohydrazide
CID 63570670
7-methoxy-3-(4-methylphenyl)chromen-2-one
CID 73211962
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-(phenoxymethyl)furan-2-carboxylate
CID 7893069
methyl 5-[(3,5-dimethoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2516450
methyl 5-[(3-methoxybenzoyl)oxymethyl]furan-2-carboxylate
CID 2110550
2-[4-(6-bromo-2-oxochromen-3-yl)phenoxy]acetamide
CID 42536387

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate?
The IUPAC name of methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate (CID 71753565) is methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate is COC(=O)c1ccc(COc2ccc(-c3cc4cc(OC)ccc4oc3=O)cc2)o1.
What is the InChIKey of methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate?
The InChIKey is VBONQQSPRCGCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O7/c1-26-17-7-9-20-15(11-17)12-19(22(24)30-20)14-3-5-16(6-4-14)28-13-18-8-10-21(29-18)23(25)27-2/h3-12H,13H2,1-2H3.
What are the key properties of methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate?
methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate has a molecular weight of 406.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[4-(6-methoxy-2-oxochromen-3-yl)phenoxy]methyl]furan-2-carboxylate is sourced from PubChem (CID 71753565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).