6-methyl-5-phenyloxan-2-one

C12H14O2 — CID 134918787

IUPAC6-methyl-5-phenyloxan-2-one
SMILESCC1OC(=O)CCC1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-11(7-8-12(13)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyCQNHVNYAMMXSKU-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.50
Rot. Bonds1

About 6-methyl-5-phenyloxan-2-one

6-methyl-5-phenyloxan-2-one (PubChem CID 134918787) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-methyl-5-phenyloxan-2-one.

Molecular Properties

Compound Name6-methyl-5-phenyloxan-2-one
PubChem CID134918787
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-methyl-5-phenyloxan-2-one
SMILESCC1OC(=O)CCC1c1ccccc1
InChIInChI=1S/C12H14O2/c1-9-11(7-8-12(13)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
InChIKeyCQNHVNYAMMXSKU-UHFFFAOYSA-N
XLogP2.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl phenylacetate
CID 7559
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Isoamyl phenylacetate
CID 7600
Phenylethyl isovalerate
CID 8792
Ethyl 3-phenylpropionate
CID 16237
Isobutyl phenylacetate
CID 60998
Phenethyl valerate
CID 81964
Hexyl phenylacetate
CID 221691
Phenethyl octanoate
CID 229888

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-phenyloxan-2-one?
The IUPAC name of 6-methyl-5-phenyloxan-2-one (CID 134918787) is 6-methyl-5-phenyloxan-2-one.
What is the SMILES notation for 6-methyl-5-phenyloxan-2-one?
The canonical SMILES for 6-methyl-5-phenyloxan-2-one is CC1OC(=O)CCC1c1ccccc1.
What is the InChIKey of 6-methyl-5-phenyloxan-2-one?
The InChIKey is CQNHVNYAMMXSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-9-11(7-8-12(13)14-9)10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3.
What are the key properties of 6-methyl-5-phenyloxan-2-one?
6-methyl-5-phenyloxan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-phenyloxan-2-one is sourced from PubChem (CID 134918787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).