6-methyl-2-phenylfuro[2,3-b]pyran-4-one

C14H10O3 — CID 101041233

IUPAC6-methyl-2-phenylfuro[2,3-b]pyran-4-one
SMILESCc1cc(=O)c2cc(-c3ccccc3)oc2o1
InChIInChI=1S/C14H10O3/c1-9-7-12(15)11-8-13(17-14(11)16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIIBLYMILQKNRMS-UHFFFAOYSA-N
MW226.23 g/mol
LogP3.36
Rot. Bonds1

About 6-methyl-2-phenylfuro[2,3-b]pyran-4-one

6-methyl-2-phenylfuro[2,3-b]pyran-4-one (PubChem CID 101041233) has the molecular formula C14H10O3 and a molecular weight of 226.23 g/mol. Its IUPAC name is 6-methyl-2-phenylfuro[2,3-b]pyran-4-one.

Molecular Properties

Compound Name6-methyl-2-phenylfuro[2,3-b]pyran-4-one
PubChem CID101041233
Molecular FormulaC14H10O3
Molecular Weight226.23 g/mol
Exact Mass226.06
IUPAC Name6-methyl-2-phenylfuro[2,3-b]pyran-4-one
SMILESCc1cc(=O)c2cc(-c3ccccc3)oc2o1
InChIInChI=1S/C14H10O3/c1-9-7-12(15)11-8-13(17-14(11)16-9)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyIIBLYMILQKNRMS-UHFFFAOYSA-N
XLogP3.36
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylchromen-4-one
CID 90124083
7-methyl-2-phenylpyrano[4,3-b]pyran-4,5-dione
CID 14202855
copper;2-phenylchromen-4-one
CID 175169427
3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
CID 12720076
6-methoxy-2-phenylchromen-4-one;hydrate
CID 174958280
methanamine;2-methylchromen-4-one
CID 91311034
7-phenylpyrano[2,3-d]pyrimidin-5-one
CID 123727420
5-methyl-2-phenylfuro[2,3-d]pyridazin-4-one
CID 11390498
7-hydroxy-2-phenylchromen-4-one
CID 5281894
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
7-(1-methylimidazol-2-yl)-2-phenylchromen-4-one
CID 138981317
6-ethyl-2-phenylchromen-4-one
CID 10999458

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenylfuro[2,3-b]pyran-4-one?
The IUPAC name of 6-methyl-2-phenylfuro[2,3-b]pyran-4-one (CID 101041233) is 6-methyl-2-phenylfuro[2,3-b]pyran-4-one.
What is the SMILES notation for 6-methyl-2-phenylfuro[2,3-b]pyran-4-one?
The canonical SMILES for 6-methyl-2-phenylfuro[2,3-b]pyran-4-one is Cc1cc(=O)c2cc(-c3ccccc3)oc2o1.
What is the InChIKey of 6-methyl-2-phenylfuro[2,3-b]pyran-4-one?
The InChIKey is IIBLYMILQKNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O3/c1-9-7-12(15)11-8-13(17-14(11)16-9)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of 6-methyl-2-phenylfuro[2,3-b]pyran-4-one?
6-methyl-2-phenylfuro[2,3-b]pyran-4-one has a molecular weight of 226.23 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenylfuro[2,3-b]pyran-4-one is sourced from PubChem (CID 101041233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).