5,6-dimethyl-4-phenylmethoxypyran-2-one

C14H14O3 — CID 44601727

IUPAC5,6-dimethyl-4-phenylmethoxypyran-2-one
SMILESCc1oc(=O)cc(OCc2ccccc2)c1C
InChIInChI=1S/C14H14O3/c1-10-11(2)17-14(15)8-13(10)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyJCHQMBCQAPAEJD-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.84
Rot. Bonds3

About 5,6-dimethyl-4-phenylmethoxypyran-2-one

5,6-dimethyl-4-phenylmethoxypyran-2-one (PubChem CID 44601727) has the molecular formula C14H14O3 and a molecular weight of 230.26 g/mol. Its IUPAC name is 5,6-dimethyl-4-phenylmethoxypyran-2-one.

Molecular Properties

Compound Name5,6-dimethyl-4-phenylmethoxypyran-2-one
PubChem CID44601727
Molecular FormulaC14H14O3
Molecular Weight230.26 g/mol
Exact Mass230.09
IUPAC Name5,6-dimethyl-4-phenylmethoxypyran-2-one
SMILESCc1oc(=O)cc(OCc2ccccc2)c1C
InChIInChI=1S/C14H14O3/c1-10-11(2)17-14(15)8-13(10)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyJCHQMBCQAPAEJD-UHFFFAOYSA-N
XLogP2.84
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzyl acetate
CID 8785
Benzyl Cinnamate
CID 5273469
Crotoxyphos
CID 5371578
Butyl Benzoate
CID 8698
(+)-Kavain
CID 5281565
Yangonin
CID 5281575
Hexyl benzoate
CID 23235
Propyl Benzoate
CID 16846
3-Hexenyl benzoate, (3Z)-
CID 5367706
Prenyl benzoate
CID 21265
Ethyl benzoate
CID 7165
Benzyl formate
CID 7708

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-4-phenylmethoxypyran-2-one?
The IUPAC name of 5,6-dimethyl-4-phenylmethoxypyran-2-one (CID 44601727) is 5,6-dimethyl-4-phenylmethoxypyran-2-one.
What is the SMILES notation for 5,6-dimethyl-4-phenylmethoxypyran-2-one?
The canonical SMILES for 5,6-dimethyl-4-phenylmethoxypyran-2-one is Cc1oc(=O)cc(OCc2ccccc2)c1C.
What is the InChIKey of 5,6-dimethyl-4-phenylmethoxypyran-2-one?
The InChIKey is JCHQMBCQAPAEJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O3/c1-10-11(2)17-14(15)8-13(10)16-9-12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of 5,6-dimethyl-4-phenylmethoxypyran-2-one?
5,6-dimethyl-4-phenylmethoxypyran-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-4-phenylmethoxypyran-2-one is sourced from PubChem (CID 44601727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).