methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate

C21H14O6 — CID 139885692

IUPACmethyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2coc3cc(Oc4ccccc4)ccc3c2=O)o1
InChIInChI=1S/C21H14O6/c1-24-21(23)18-10-9-17(27-18)16-12-25-19-11-14(7-8-15(19)20(16)22)26-13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyASDVQLHKWYUKNS-UHFFFAOYSA-N
MW362.34 g/mol
LogP4.63
Rot. Bonds4

About methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate

methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate (PubChem CID 139885692) has the molecular formula C21H14O6 and a molecular weight of 362.34 g/mol. Its IUPAC name is methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate
PubChem CID139885692
Molecular FormulaC21H14O6
Molecular Weight362.34 g/mol
Exact Mass362.08
IUPAC Namemethyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate
SMILESCOC(=O)c1ccc(-c2coc3cc(Oc4ccccc4)ccc3c2=O)o1
InChIInChI=1S/C21H14O6/c1-24-21(23)18-10-9-17(27-18)16-12-25-19-11-14(7-8-15(19)20(16)22)26-13-5-3-2-4-6-13/h2-12H,1H3
InChIKeyASDVQLHKWYUKNS-UHFFFAOYSA-N
XLogP4.63
TPSA78.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.34
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropanecarbonyl)-7-phenoxychromen-4-one
CID 139885698
3-acetyl-7-(4-methoxyphenoxy)chromen-4-one
CID 139885668
2-(4-oxo-3-phenylchromen-7-yl)oxyacetic acid
CID 15122627
7-phenoxy-3-(pyridine-4-carbonyl)chromen-4-one
CID 139885740
(4-oxo-3-phenylchromen-7-yl) 2-methoxyacetate
CID 23965769
methyl 2-(4-oxo-3-phenylchromen-7-yl)oxybutanoate
CID 23987620
methyl 4-[(2-methyl-4-oxo-3-phenoxychromen-7-yl)oxymethyl]benzoate
CID 1286937
7-(1-hydroxypropan-2-yloxy)-3-phenylchromen-4-one
CID 101159250
2-(4-oxo-3-phenoxychromen-7-yl)oxypropanoic acid
CID 21180140
methyl 4-methyl-3-(4-oxo-3-phenylchromen-7-yl)oxysulfonylbenzoate
CID 55565542
3-[5-methyl-6-(methylamino)pyridine-3-carbonyl]-7-phenoxychromen-4-one
CID 139885678
(4-oxo-3-phenoxychromen-7-yl) 2-aminopropanoate
CID 21204069

Frequently Asked Questions

What is the IUPAC name of methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate?
The IUPAC name of methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate (CID 139885692) is methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate.
What is the SMILES notation for methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate?
The canonical SMILES for methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate is COC(=O)c1ccc(-c2coc3cc(Oc4ccccc4)ccc3c2=O)o1.
What is the InChIKey of methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate?
The InChIKey is ASDVQLHKWYUKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O6/c1-24-21(23)18-10-9-17(27-18)16-12-25-19-11-14(7-8-15(19)20(16)22)26-13-5-3-2-4-6-13/h2-12H,1H3.
What are the key properties of methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate?
methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate has a molecular weight of 362.34 g/mol, XLogP of 4.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4-oxo-7-phenoxychromen-3-yl)furan-2-carboxylate is sourced from PubChem (CID 139885692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).