4-phenylmethoxypyran-2-one

C12H10O3 — CID 16637546

IUPAC4-phenylmethoxypyran-2-one
SMILESO=c1cc(OCc2ccccc2)cco1
InChIInChI=1S/C12H10O3/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyICXUQZVHPVPSBD-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.22
Rot. Bonds3

About 4-phenylmethoxypyran-2-one

4-phenylmethoxypyran-2-one (PubChem CID 16637546) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 4-phenylmethoxypyran-2-one.

Molecular Properties

Compound Name4-phenylmethoxypyran-2-one
PubChem CID16637546
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name4-phenylmethoxypyran-2-one
SMILESO=c1cc(OCc2ccccc2)cco1
InChIInChI=1S/C12H10O3/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyICXUQZVHPVPSBD-UHFFFAOYSA-N
XLogP2.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
6-phenylmethoxychromen-2-one
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4-methyl-7-phenylmethoxychromen-2-one
CID 728520
(1S,9S)-5,13-bis(phenylmethoxy)-17-oxatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 101036078
2-[2,5-bis(phenylmethoxy)phenyl]acetic acid
CID 14802088
2-methyl-3-phenylmethoxypyran-4-one
CID 1490119
3-[2,5-bis(phenylmethoxy)phenyl]-3-oxopropanoic acid
CID 170887038
3,3-dimethyl-5-phenylmethoxy-2-benzofuran-1-one
CID 122389437
3-phenylmethoxybenzo[c]chromen-6-one
CID 2787564
5-phenylmethoxy-3H-1-benzofuran-2-one
CID 50887902
6-phenylmethoxy-1,3-benzoxathiol-2-one
CID 10682625
(4-phenylmethoxyphenyl) hypobromite
CID 151898979

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxypyran-2-one?
The IUPAC name of 4-phenylmethoxypyran-2-one (CID 16637546) is 4-phenylmethoxypyran-2-one.
What is the SMILES notation for 4-phenylmethoxypyran-2-one?
The canonical SMILES for 4-phenylmethoxypyran-2-one is O=c1cc(OCc2ccccc2)cco1.
What is the InChIKey of 4-phenylmethoxypyran-2-one?
The InChIKey is ICXUQZVHPVPSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c13-12-8-11(6-7-14-12)15-9-10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 4-phenylmethoxypyran-2-one?
4-phenylmethoxypyran-2-one has a molecular weight of 202.21 g/mol, XLogP of 2.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxypyran-2-one is sourced from PubChem (CID 16637546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).