6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one

C15H14O3 — CID 101041223

IUPAC6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one
SMILESCc1ccc(C2Cc3c(cc(C)oc3=O)O2)cc1
InChIInChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)13-8-12-14(18-13)7-10(2)17-15(12)16/h3-7,13H,8H2,1-2H3
InChIKeyIOPJWRIPTOINJC-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.93
Rot. Bonds1

About 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one

6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one (PubChem CID 101041223) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one.

Molecular Properties

Compound Name6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one
PubChem CID101041223
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one
SMILESCc1ccc(C2Cc3c(cc(C)oc3=O)O2)cc1
InChIInChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)13-8-12-14(18-13)7-10(2)17-15(12)16/h3-7,13H,8H2,1-2H3
InChIKeyIOPJWRIPTOINJC-UHFFFAOYSA-N
XLogP2.93
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one?
The IUPAC name of 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one (CID 101041223) is 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one.
What is the SMILES notation for 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one?
The canonical SMILES for 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one is Cc1ccc(C2Cc3c(cc(C)oc3=O)O2)cc1.
What is the InChIKey of 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one?
The InChIKey is IOPJWRIPTOINJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-9-3-5-11(6-4-9)13-8-12-14(18-13)7-10(2)17-15(12)16/h3-7,13H,8H2,1-2H3.
What are the key properties of 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one?
6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one has a molecular weight of 242.27 g/mol, XLogP of 2.93, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylphenyl)-2,3-dihydrofuro[3,2-c]pyran-4-one is sourced from PubChem (CID 101041223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).