3-ethyl-3-phenyloxolan-2-one

C12H14O2 — CID 19986

IUPAC3-ethyl-3-phenyloxolan-2-one
SMILESCCC1(c2ccccc2)CCOC1=O
InChIInChI=1S/C12H14O2/c1-2-12(8-9-14-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyTVRCQMFDVHKZHL-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.28
Rot. Bonds2

About 3-ethyl-3-phenyloxolan-2-one

3-ethyl-3-phenyloxolan-2-one (PubChem CID 19986) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 3-ethyl-3-phenyloxolan-2-one.

Molecular Properties

Compound Name3-ethyl-3-phenyloxolan-2-one
PubChem CID19986
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name3-ethyl-3-phenyloxolan-2-one
SMILESCCC1(c2ccccc2)CCOC1=O
InChIInChI=1S/C12H14O2/c1-2-12(8-9-14-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKeyTVRCQMFDVHKZHL-UHFFFAOYSA-N
XLogP2.28
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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
Isoamyl phenylacetate
CID 7600
Methyl 3-phenylpropionate
CID 7643

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-phenyloxolan-2-one?
The IUPAC name of 3-ethyl-3-phenyloxolan-2-one (CID 19986) is 3-ethyl-3-phenyloxolan-2-one.
What is the SMILES notation for 3-ethyl-3-phenyloxolan-2-one?
The canonical SMILES for 3-ethyl-3-phenyloxolan-2-one is CCC1(c2ccccc2)CCOC1=O.
What is the InChIKey of 3-ethyl-3-phenyloxolan-2-one?
The InChIKey is TVRCQMFDVHKZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-2-12(8-9-14-11(12)13)10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3.
What are the key properties of 3-ethyl-3-phenyloxolan-2-one?
3-ethyl-3-phenyloxolan-2-one has a molecular weight of 190.24 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-phenyloxolan-2-one is sourced from PubChem (CID 19986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).