3-methyl-2,6-diphenyloxan-4-one

C18H18O2 — CID 2833506

IUPAC3-methyl-2,6-diphenyloxan-4-one
SMILESCC1C(=O)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-16(19)12-17(14-8-4-2-5-9-14)20-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3
InChIKeyDSMFLVXZGAJXNY-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.09
Rot. Bonds2

About 3-methyl-2,6-diphenyloxan-4-one

3-methyl-2,6-diphenyloxan-4-one (PubChem CID 2833506) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-methyl-2,6-diphenyloxan-4-one.

Molecular Properties

Compound Name3-methyl-2,6-diphenyloxan-4-one
PubChem CID2833506
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name3-methyl-2,6-diphenyloxan-4-one
SMILESCC1C(=O)CC(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C18H18O2/c1-13-16(19)12-17(14-8-4-2-5-9-14)20-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3
InChIKeyDSMFLVXZGAJXNY-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,6-diphenyloxan-4-one?
The IUPAC name of 3-methyl-2,6-diphenyloxan-4-one (CID 2833506) is 3-methyl-2,6-diphenyloxan-4-one.
What is the SMILES notation for 3-methyl-2,6-diphenyloxan-4-one?
The canonical SMILES for 3-methyl-2,6-diphenyloxan-4-one is CC1C(=O)CC(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 3-methyl-2,6-diphenyloxan-4-one?
The InChIKey is DSMFLVXZGAJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-13-16(19)12-17(14-8-4-2-5-9-14)20-18(13)15-10-6-3-7-11-15/h2-11,13,17-18H,12H2,1H3.
What are the key properties of 3-methyl-2,6-diphenyloxan-4-one?
3-methyl-2,6-diphenyloxan-4-one has a molecular weight of 266.34 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,6-diphenyloxan-4-one is sourced from PubChem (CID 2833506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).