2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone

C13H15IO2 — CID 114974200

IUPAC2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(I)cc2)O1
InChIInChI=1S/C13H15IO2/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYKMWDQMQMAQYAS-UHFFFAOYSA-N
MW330.17 g/mol
LogP2.97
Rot. Bonds3

About 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone

2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone (PubChem CID 114974200) has the molecular formula C13H15IO2 and a molecular weight of 330.17 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
PubChem CID114974200
Molecular FormulaC13H15IO2
Molecular Weight330.17 g/mol
Exact Mass330.01
IUPAC Name2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone
SMILESCC1CCC(C(=O)Cc2ccc(I)cc2)O1
InChIInChI=1S/C13H15IO2/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h3-6,9,13H,2,7-8H2,1H3
InChIKeyYKMWDQMQMAQYAS-UHFFFAOYSA-N
XLogP2.97
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(4-tert-butylphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114967922
2-(furan-3-yl)-1-(5-methyloxolan-2-yl)ethanone
CID 115795921
1-cyclopropyl-2-(4-iodophenyl)ethanone
CID 65478499
2-(3-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 81330350
2-(3-bromo-4-methoxyphenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 114964723
2-(4-iodophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65476464
2-(3-chloro-2-fluorophenyl)-1-(5-methyloxolan-2-yl)ethanone
CID 102865639
1-(5-methyloxolan-2-yl)-2-quinolin-4-ylethanone
CID 114979776
1-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl)-2-(4-iodophenyl)ethanone
CID 116586076
1-(2-adamantyl)-2-(4-iodophenyl)ethanone
CID 114974203
1-(3-aminocyclopentyl)-2-(4-iodophenyl)ethanone
CID 116587269
1-(1-hydroxy-4-methylcyclohexyl)-2-(4-iodophenyl)ethanone
CID 103450918

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone (CID 114974200) is 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone is CC1CCC(C(=O)Cc2ccc(I)cc2)O1.
What is the InChIKey of 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone?
The InChIKey is YKMWDQMQMAQYAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO2/c1-9-2-7-13(16-9)12(15)8-10-3-5-11(14)6-4-10/h3-6,9,13H,2,7-8H2,1H3.
What are the key properties of 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone?
2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone has a molecular weight of 330.17 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(5-methyloxolan-2-yl)ethanone is sourced from PubChem (CID 114974200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).