[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone

C19H21IO — CID 63492494

IUPAC[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(I)cc2)c(C(C)C)c1
InChIInChI=1S/C19H21IO/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13H,1-4H3
InChIKeyUTBOQWGZGMDBEH-UHFFFAOYSA-N
MW392.28 g/mol
LogP5.77
Rot. Bonds4

About [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone

[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone (PubChem CID 63492494) has the molecular formula C19H21IO and a molecular weight of 392.28 g/mol. Its IUPAC name is [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone.

Molecular Properties

Compound Name[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
PubChem CID63492494
Molecular FormulaC19H21IO
Molecular Weight392.28 g/mol
Exact Mass392.06
IUPAC Name[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone
SMILESCC(C)c1ccc(C(=O)c2ccc(I)cc2)c(C(C)C)c1
InChIInChI=1S/C19H21IO/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13H,1-4H3
InChIKeyUTBOQWGZGMDBEH-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.28
LogP ≤ 55.77
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

1-[2,4-di(propan-2-yl)phenyl]-2-methylpropan-1-one
CID 43160225
(5-bromo-3-pyridinyl)-[2,4-di(propan-2-yl)phenyl]methanone
CID 43338072
[2,5-di(propan-2-yl)phenyl]-phenylmethanone
CID 165349442
methyl 4-[2,5-di(propan-2-yl)benzoyl]benzoate
CID 71377628
2,2-dichloro-1-[2,4-di(propan-2-yl)phenyl]ethanone
CID 22770095
4-[2,4,6-tri(propan-2-yl)benzoyl]benzoyl chloride
CID 15835314
(2,4-dimethylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43337891
(2,4-dichlorophenyl)-(4-propan-2-ylphenyl)methanone
CID 43625036
(2,4-dibromophenyl)-(4-propan-2-ylphenyl)methanone
CID 107944448
(2-chloro-4-methylphenyl)-(4-propan-2-ylphenyl)methanone
CID 106860797
4,6-bis(4-iodobenzoyl)benzene-1,3-dicarboxylic acid
CID 23586577
bis[4-(4-iodobenzoyl)phenyl]methanone
CID 22494471

Frequently Asked Questions

What is the IUPAC name of [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone?
The IUPAC name of [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone (CID 63492494) is [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone.
What is the SMILES notation for [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone?
The canonical SMILES for [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone is CC(C)c1ccc(C(=O)c2ccc(I)cc2)c(C(C)C)c1.
What is the InChIKey of [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone?
The InChIKey is UTBOQWGZGMDBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21IO/c1-12(2)15-7-10-17(18(11-15)13(3)4)19(21)14-5-8-16(20)9-6-14/h5-13H,1-4H3.
What are the key properties of [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone?
[2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone has a molecular weight of 392.28 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4-di(propan-2-yl)phenyl]-(4-iodophenyl)methanone is sourced from PubChem (CID 63492494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).