2-phenyloxetan-3-one

C9H8O2 — CID 13111189

IUPAC2-phenyloxetan-3-one
SMILESO=C1COC1c1ccccc1
InChIInChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyYUZXDOLBTJJCDY-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.33
Rot. Bonds1

About 2-phenyloxetan-3-one

2-phenyloxetan-3-one (PubChem CID 13111189) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-phenyloxetan-3-one.

Molecular Properties

Compound Name2-phenyloxetan-3-one
PubChem CID13111189
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name2-phenyloxetan-3-one
SMILESO=C1COC1c1ccccc1
InChIInChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2
InChIKeyYUZXDOLBTJJCDY-UHFFFAOYSA-N
XLogP1.33
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 3-phenylglycidate
CID 8469
Benzyl phenylacetate
CID 60999
Methoxyphenylacetic acid
CID 107202
Benzyl octanoate
CID 82511
Chalcone epoxide
CID 92219
METHYL beta-PHENYLGLYCIDATE
CID 86834
Benzoin ethyl ether
CID 101778
gamma-Phenyl-gamma-butyrolactone
CID 13884
Methyl Benzoin
CID 98097
Ethanone, 2-(1-methylethoxy)-1,2-diphenyl-
CID 110912
(+)-O-Acetyl-L-mandelic Acid
CID 6923379
O-Acetylmandelic acid
CID 225215

Frequently Asked Questions

What is the IUPAC name of 2-phenyloxetan-3-one?
The IUPAC name of 2-phenyloxetan-3-one (CID 13111189) is 2-phenyloxetan-3-one.
What is the SMILES notation for 2-phenyloxetan-3-one?
The canonical SMILES for 2-phenyloxetan-3-one is O=C1COC1c1ccccc1.
What is the InChIKey of 2-phenyloxetan-3-one?
The InChIKey is YUZXDOLBTJJCDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-8-6-11-9(8)7-4-2-1-3-5-7/h1-5,9H,6H2.
What are the key properties of 2-phenyloxetan-3-one?
2-phenyloxetan-3-one has a molecular weight of 148.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyloxetan-3-one is sourced from PubChem (CID 13111189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).