(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone

C17H17IO — CID 43338137

IUPAC(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IO/c1-12(2)11-13-7-9-14(10-8-13)17(19)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3
InChIKeyLJASCZADLHGAMQ-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.72
Rot. Bonds4

About (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone

(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 43338137) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID43338137
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccccc2I)cc1
InChIInChI=1S/C17H17IO/c1-12(2)11-13-7-9-14(10-8-13)17(19)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3
InChIKeyLJASCZADLHGAMQ-UHFFFAOYSA-N
XLogP4.72
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.72
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

(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338104
(2-chloro-3-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 81454343
(2-iodophenyl)-(4-phenylphenyl)methanone
CID 43337741
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
(2-iodophenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970696
[4-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
2-methyl-N'-[4-(2-methylpropyl)benzoyl]benzohydrazide
CID 8623833
(2-chloro-4-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338130
(4-bromo-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 115368731
(5-chloro-2-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43160247
1-chloro-2-methylpropane;methane;2-methyl-1-[2-(2-methylpropyl)phenyl]propan-1-one;2-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 159064211

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 43338137) is (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)c2ccccc2I)cc1.
What is the InChIKey of (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is LJASCZADLHGAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-12(2)11-13-7-9-14(10-8-13)17(19)15-5-3-4-6-16(15)18/h3-10,12H,11H2,1-2H3.
What are the key properties of (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone has a molecular weight of 364.23 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 43338137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).