3-phenyloxolan-2-one

C10H10O2 — CID 23269

IUPAC3-phenyloxolan-2-one
SMILESO=C1OCCC1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyQGHNDAKWOGAJHS-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.72
Rot. Bonds1

About 3-phenyloxolan-2-one

3-phenyloxolan-2-one (PubChem CID 23269) has the molecular formula C10H10O2 and a molecular weight of 162.19 g/mol. Its IUPAC name is 3-phenyloxolan-2-one.

Molecular Properties

Compound Name3-phenyloxolan-2-one
PubChem CID23269
Molecular FormulaC10H10O2
Molecular Weight162.19 g/mol
Exact Mass162.07
IUPAC Name3-phenyloxolan-2-one
SMILESO=C1OCCC1c1ccccc1
InChIInChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2
InChIKeyQGHNDAKWOGAJHS-UHFFFAOYSA-N
XLogP1.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenylacetic Acid
CID 999
2-Phenylpropionic acid
CID 10296
2-Phenylethyl propionate
CID 31225
Allyl phenylacetate
CID 15717
Methyl phenylacetate
CID 7559
Phenethyl phenylacetate
CID 7601
Phenethyl butyrate
CID 7658
Phenethyl hexanoate
CID 61384
Phenylethyl 2-methylbutyrate
CID 520148
Ethyl phenylacetate
CID 7590
Isopropyl Phenylacetate
CID 62553
Iophendylate
CID 7458

Frequently Asked Questions

What is the IUPAC name of 3-phenyloxolan-2-one?
The IUPAC name of 3-phenyloxolan-2-one (CID 23269) is 3-phenyloxolan-2-one.
What is the SMILES notation for 3-phenyloxolan-2-one?
The canonical SMILES for 3-phenyloxolan-2-one is O=C1OCCC1c1ccccc1.
What is the InChIKey of 3-phenyloxolan-2-one?
The InChIKey is QGHNDAKWOGAJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2/c11-10-9(6-7-12-10)8-4-2-1-3-5-8/h1-5,9H,6-7H2.
What are the key properties of 3-phenyloxolan-2-one?
3-phenyloxolan-2-one has a molecular weight of 162.19 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyloxolan-2-one is sourced from PubChem (CID 23269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).