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

C17H17IO — CID 43338104

IUPAC(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H17IO/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeyXLSBKVSDOXFUNS-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.72
Rot. Bonds4

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

(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone (PubChem CID 43338104) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
PubChem CID43338104
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name(4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
SMILESCC(C)Cc1ccc(C(=O)c2ccc(I)cc2)cc1
InChIInChI=1S/C17H17IO/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10,12H,11H2,1-2H3
InChIKeyXLSBKVSDOXFUNS-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-[(dimethylamino)methyl]phenyl]-[4-(2-methylpropyl)phenyl]methanone
CID 58820967
(2-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43338137
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471
(3,4-dimethoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 14297404
(2S)-2-chloro-1-[4-(2-methylpropyl)phenyl]propan-1-one
CID 6931819
(3-bromo-5-fluorophenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 43248253
2-deuterio-1-iodo-4-(2-methylpropyl)benzene
CID 175696427
(3-fluoro-4-methoxyphenyl)-[4-(2-methylpropyl)phenyl]methanone
CID 63491623
2-methylpropylbenzene;1-[4-(2-methylpropyl)phenyl]ethanone
CID 23168110
amino 4-(2-methylpropyl)benzoate
CID 163714335
2-bromo-2-chloro-1-[4-(2-methylpropyl)phenyl]ethanone
CID 116863838
1-[4-(2-methylpropyl)phenyl]-3-sulfanylpropan-1-one
CID 94684203

Frequently Asked Questions

What is the IUPAC name of (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone (CID 43338104) is (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone is CC(C)Cc1ccc(C(=O)c2ccc(I)cc2)cc1.
What is the InChIKey of (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
The InChIKey is XLSBKVSDOXFUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-12(2)11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10,12H,11H2,1-2H3.
What are the key properties of (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone?
(4-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 (4-iodophenyl)-[4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 43338104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).