4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one

C20H14O4 — CID 135259598

IUPAC4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
SMILESCOc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)o1
InChIInChI=1S/C20H14O4/c1-22-16-8-4-3-7-14(16)18-10-11-19(23-18)15-12-20(21)24-17-9-5-2-6-13(15)17/h2-12H,1H3
InChIKeyBQEQSHAGJFNMFS-UHFFFAOYSA-N
MW318.33 g/mol
LogP4.73
Rot. Bonds3

About 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one

4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one (PubChem CID 135259598) has the molecular formula C20H14O4 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one.

Molecular Properties

Compound Name4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
PubChem CID135259598
Molecular FormulaC20H14O4
Molecular Weight318.33 g/mol
Exact Mass318.09
IUPAC Name4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
SMILESCOc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)o1
InChIInChI=1S/C20H14O4/c1-22-16-8-4-3-7-14(16)18-10-11-19(23-18)15-12-20(21)24-17-9-5-2-6-13(15)17/h2-12H,1H3
InChIKeyBQEQSHAGJFNMFS-UHFFFAOYSA-N
XLogP4.73
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 68081
Flavone
CID 10680
6-Methoxyflavone
CID 147157
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CID 55748
Bergamottin
CID 5471349
3-(Nitroxymethyl)phenyl 2-acetoxybenzoate
CID 119032
Coumafuryl
CID 54689800
7-(Acetyloxy)-2-methyl-3-phenyl-4H-1-benzopyran-4-one
CID 268208
Methyl acetylsalicylic acid
CID 68484
Ethyl 2-phenyl-3-furoate
CID 62007
3-Hydroxy-3'-methoxyflavone
CID 676296
Acetylsalicylsalicylic acid
CID 10745

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one?
The IUPAC name of 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one (CID 135259598) is 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one.
What is the SMILES notation for 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one?
The canonical SMILES for 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one is COc1ccccc1-c1ccc(-c2cc(=O)oc3ccccc23)o1.
What is the InChIKey of 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one?
The InChIKey is BQEQSHAGJFNMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O4/c1-22-16-8-4-3-7-14(16)18-10-11-19(23-18)15-12-20(21)24-17-9-5-2-6-13(15)17/h2-12H,1H3.
What are the key properties of 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one?
4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one has a molecular weight of 318.33 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one is sourced from PubChem (CID 135259598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).