5-ethyl-3-methyl-2-phenylpyran-4-one

C14H14O2 — CID 22891668

IUPAC5-ethyl-3-methyl-2-phenylpyran-4-one
SMILESCCc1coc(-c2ccccc2)c(C)c1=O
InChIInChI=1S/C14H14O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3
InChIKeyLQFLDEREPSOTRQ-UHFFFAOYSA-N
MW214.26 g/mol
LogP3.18
Rot. Bonds2

About 5-ethyl-3-methyl-2-phenylpyran-4-one

5-ethyl-3-methyl-2-phenylpyran-4-one (PubChem CID 22891668) has the molecular formula C14H14O2 and a molecular weight of 214.26 g/mol. Its IUPAC name is 5-ethyl-3-methyl-2-phenylpyran-4-one.

Molecular Properties

Compound Name5-ethyl-3-methyl-2-phenylpyran-4-one
PubChem CID22891668
Molecular FormulaC14H14O2
Molecular Weight214.26 g/mol
Exact Mass214.10
IUPAC Name5-ethyl-3-methyl-2-phenylpyran-4-one
SMILESCCc1coc(-c2ccccc2)c(C)c1=O
InChIInChI=1S/C14H14O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3
InChIKeyLQFLDEREPSOTRQ-UHFFFAOYSA-N
XLogP3.18
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-3,5-dimethyl-6-phenylpyran-4-one
CID 102311710
8-ethyl-3-methyl-2-phenylchromen-4-one
CID 59679615
4-chloro-3-methyl-2-phenylfuran
CID 11106212
3,5-diethyl-2,6-diphenylpyran-4-one
CID 59161433
4-(2-ethylphenyl)-2-iodo-3-methyl-5-phenylfuran
CID 166900704
8-(chloromethyl)-3-methyl-2-phenylchromen-4-one
CID 19972408
4-ethyl-5-phenyl-1,2-oxazol-3-one
CID 13454114
5-methyl-2,6-diphenyl-1,3-oxazin-4-one
CID 13028435
8-amino-3-methyl-2-phenylchromen-4-one
CID 19972808
(3-ethyl-5-phenyl-1,2-oxazol-4-yl)carbamic acid
CID 68885744
5-ethyl-2-(2-ethylphenyl)-3-methylchromen-4-one
CID 70447716
methanesulfonic acid;3-methyl-2-phenylchromen-4-one
CID 172814371

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methyl-2-phenylpyran-4-one?
The IUPAC name of 5-ethyl-3-methyl-2-phenylpyran-4-one (CID 22891668) is 5-ethyl-3-methyl-2-phenylpyran-4-one.
What is the SMILES notation for 5-ethyl-3-methyl-2-phenylpyran-4-one?
The canonical SMILES for 5-ethyl-3-methyl-2-phenylpyran-4-one is CCc1coc(-c2ccccc2)c(C)c1=O.
What is the InChIKey of 5-ethyl-3-methyl-2-phenylpyran-4-one?
The InChIKey is LQFLDEREPSOTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2/c1-3-11-9-16-14(10(2)13(11)15)12-7-5-4-6-8-12/h4-9H,3H2,1-2H3.
What are the key properties of 5-ethyl-3-methyl-2-phenylpyran-4-one?
5-ethyl-3-methyl-2-phenylpyran-4-one has a molecular weight of 214.26 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methyl-2-phenylpyran-4-one is sourced from PubChem (CID 22891668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).