2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone

C17H15IO — CID 65479105

IUPAC2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15IO/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyIWJBSNNECYAJPV-UHFFFAOYSA-N
MW362.21 g/mol
LogP4.13
Rot. Bonds4

About 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone

2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone (PubChem CID 65479105) has the molecular formula C17H15IO and a molecular weight of 362.21 g/mol. Its IUPAC name is 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone.

Molecular Properties

Compound Name2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
PubChem CID65479105
Molecular FormulaC17H15IO
Molecular Weight362.21 g/mol
Exact Mass362.02
IUPAC Name2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone
SMILESO=C(Cc1ccc(I)cc1)C1(c2ccccc2)CC1
InChIInChI=1S/C17H15IO/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2
InChIKeyIWJBSNNECYAJPV-UHFFFAOYSA-N
XLogP4.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.21
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(3,4-dimethylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62880387
2-phenyl-1-(4-phenyloxan-4-yl)ethanone
CID 63082189
2-(2-chlorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 62881925
2-(furan-3-yl)-1-(1-phenylcyclobutyl)ethanone
CID 83171826
2-(3-methylphenyl)-1-(1-phenylcyclopentyl)ethanone
CID 63410082
2-(2-chloro-3-fluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 115983494
N-(3-iodopropyl)-1-phenylcyclopropane-1-carboxamide
CID 114504381
2-(4-iodophenyl)acetyl chloride
CID 13340573
2-(4-fluoro-2-methylphenyl)-1-(1-phenylcyclopropyl)ethanone
CID 114347208
1-(1-phenylcyclopentyl)propan-1-one
CID 63080096
N-[[1-(bromomethyl)cyclopropyl]methyl]-1-phenylcyclopropane-1-carboxamide
CID 113313525
2-(3-bromo-2,6-difluorophenyl)-1-(1-phenylcyclopropyl)ethanone
CID 106266060

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone?
The IUPAC name of 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone (CID 65479105) is 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone.
What is the SMILES notation for 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone?
The canonical SMILES for 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone is O=C(Cc1ccc(I)cc1)C1(c2ccccc2)CC1.
What is the InChIKey of 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone?
The InChIKey is IWJBSNNECYAJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15IO/c18-15-8-6-13(7-9-15)12-16(19)17(10-11-17)14-4-2-1-3-5-14/h1-9H,10-12H2.
What are the key properties of 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone?
2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone has a molecular weight of 362.21 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-1-(1-phenylcyclopropyl)ethanone is sourced from PubChem (CID 65479105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).