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

C20H14O3 — CID 135259642

IUPAC4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one
SMILESCc1ccc(-c2ccc(-c3cc(=O)oc4ccccc34)o2)cc1
InChIInChI=1S/C20H14O3/c1-13-6-8-14(9-7-13)17-10-11-19(22-17)16-12-20(21)23-18-5-3-2-4-15(16)18/h2-12H,1H3
InChIKeyLEFBNKRHAYBBOV-UHFFFAOYSA-N
MW302.33 g/mol
LogP5.03
Rot. Bonds2

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

4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one (PubChem CID 135259642) has the molecular formula C20H14O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one
PubChem CID135259642
Molecular FormulaC20H14O3
Molecular Weight302.33 g/mol
Exact Mass302.09
IUPAC Name4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one
SMILESCc1ccc(-c2ccc(-c3cc(=O)oc4ccccc34)o2)cc1
InChIInChI=1S/C20H14O3/c1-13-6-8-14(9-7-13)17-10-11-19(22-17)16-12-20(21)23-18-5-3-2-4-15(16)18/h2-12H,1H3
InChIKeyLEFBNKRHAYBBOV-UHFFFAOYSA-N
XLogP5.03
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.33
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[5-(2-methoxyphenyl)furan-2-yl]chromen-2-one
CID 135259598
4-(4-hydroxyphenyl)chromen-2-one
CID 87209427
4-(5-phenylthiophen-2-yl)chromen-2-one
CID 135259683
4-(2,5-dimethylthiophen-3-yl)chromen-2-one
CID 58882738
4-[4-(4-methylphenyl)-5-sulfanylidene-1,2,4-oxadiazol-3-yl]chromen-2-one
CID 10520850
4-(furan-3-yl)chromen-2-one
CID 139774091
4-(4-butoxyphenyl)chromen-2-one
CID 102166344
4-(3-methoxyphenyl)chromen-2-one
CID 10538749
dimethyltin;4-methylchromen-2-one
CID 175284443
6-methyl-4-(1-methylindol-3-yl)chromen-2-one
CID 132548044
4-[4-(4-methylphenyl)triazol-1-yl]chromen-2-one
CID 11673879
3-[4-[4-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964733

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one?
The IUPAC name of 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one (CID 135259642) is 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one.
What is the SMILES notation for 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one?
The canonical SMILES for 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one is Cc1ccc(-c2ccc(-c3cc(=O)oc4ccccc34)o2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one?
The InChIKey is LEFBNKRHAYBBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O3/c1-13-6-8-14(9-7-13)17-10-11-19(22-17)16-12-20(21)23-18-5-3-2-4-15(16)18/h2-12H,1H3.
What are the key properties of 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one?
4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one has a molecular weight of 302.33 g/mol, XLogP of 5.03, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)furan-2-yl]chromen-2-one is sourced from PubChem (CID 135259642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).