4-methyl-6-phenyl-1,3-dioxan-2-one

C11H12O3 — CID 22174264

IUPAC4-methyl-6-phenyl-1,3-dioxan-2-one
SMILESCC1CC(c2ccccc2)OC(=O)O1
InChIInChI=1S/C11H12O3/c1-8-7-10(14-11(12)13-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyPQOJGCFOVQXFAY-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.67
Rot. Bonds1

About 4-methyl-6-phenyl-1,3-dioxan-2-one

4-methyl-6-phenyl-1,3-dioxan-2-one (PubChem CID 22174264) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 4-methyl-6-phenyl-1,3-dioxan-2-one.

Molecular Properties

Compound Name4-methyl-6-phenyl-1,3-dioxan-2-one
PubChem CID22174264
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name4-methyl-6-phenyl-1,3-dioxan-2-one
SMILESCC1CC(c2ccccc2)OC(=O)O1
InChIInChI=1S/C11H12O3/c1-8-7-10(14-11(12)13-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3
InChIKeyPQOJGCFOVQXFAY-UHFFFAOYSA-N
XLogP2.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-phenyl-1,3-dioxan-2-one?
The IUPAC name of 4-methyl-6-phenyl-1,3-dioxan-2-one (CID 22174264) is 4-methyl-6-phenyl-1,3-dioxan-2-one.
What is the SMILES notation for 4-methyl-6-phenyl-1,3-dioxan-2-one?
The canonical SMILES for 4-methyl-6-phenyl-1,3-dioxan-2-one is CC1CC(c2ccccc2)OC(=O)O1.
What is the InChIKey of 4-methyl-6-phenyl-1,3-dioxan-2-one?
The InChIKey is PQOJGCFOVQXFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-8-7-10(14-11(12)13-8)9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.
What are the key properties of 4-methyl-6-phenyl-1,3-dioxan-2-one?
4-methyl-6-phenyl-1,3-dioxan-2-one has a molecular weight of 192.21 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-1,3-dioxan-2-one is sourced from PubChem (CID 22174264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).