(3-iodophenyl)-(oxolan-3-yl)methanone

C11H11IO2 — CID 114972035

IUPAC(3-iodophenyl)-(oxolan-3-yl)methanone
SMILESO=C(c1cccc(I)c1)C1CCOC1
InChIInChI=1S/C11H11IO2/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyBGSYENAILJMKFY-UHFFFAOYSA-N
MW302.11 g/mol
LogP2.51
Rot. Bonds2

About (3-iodophenyl)-(oxolan-3-yl)methanone

(3-iodophenyl)-(oxolan-3-yl)methanone (PubChem CID 114972035) has the molecular formula C11H11IO2 and a molecular weight of 302.11 g/mol. Its IUPAC name is (3-iodophenyl)-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name(3-iodophenyl)-(oxolan-3-yl)methanone
PubChem CID114972035
Molecular FormulaC11H11IO2
Molecular Weight302.11 g/mol
Exact Mass301.98
IUPAC Name(3-iodophenyl)-(oxolan-3-yl)methanone
SMILESO=C(c1cccc(I)c1)C1CCOC1
InChIInChI=1S/C11H11IO2/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2
InChIKeyBGSYENAILJMKFY-UHFFFAOYSA-N
XLogP2.51
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.11
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-iodophenyl)-(oxolan-3-yl)methanone?
The IUPAC name of (3-iodophenyl)-(oxolan-3-yl)methanone (CID 114972035) is (3-iodophenyl)-(oxolan-3-yl)methanone.
What is the SMILES notation for (3-iodophenyl)-(oxolan-3-yl)methanone?
The canonical SMILES for (3-iodophenyl)-(oxolan-3-yl)methanone is O=C(c1cccc(I)c1)C1CCOC1.
What is the InChIKey of (3-iodophenyl)-(oxolan-3-yl)methanone?
The InChIKey is BGSYENAILJMKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11IO2/c12-10-3-1-2-8(6-10)11(13)9-4-5-14-7-9/h1-3,6,9H,4-5,7H2.
What are the key properties of (3-iodophenyl)-(oxolan-3-yl)methanone?
(3-iodophenyl)-(oxolan-3-yl)methanone has a molecular weight of 302.11 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodophenyl)-(oxolan-3-yl)methanone is sourced from PubChem (CID 114972035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).