(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone

C17H17IO — CID 43337332

IUPAC(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccccc2I)c1C
InChIInChI=1S/C17H17IO/c1-10-9-11(2)13(4)16(12(10)3)17(19)14-7-5-6-8-15(14)18/h5-9H,1-4H3
InChIKeyRENOWKMNKIEYTF-UHFFFAOYSA-N
MW364.23 g/mol
LogP4.76
Rot. Bonds2

About (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone

(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone (PubChem CID 43337332) has the molecular formula C17H17IO and a molecular weight of 364.23 g/mol. Its IUPAC name is (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
PubChem CID43337332
Molecular FormulaC17H17IO
Molecular Weight364.23 g/mol
Exact Mass364.03
IUPAC Name(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C)c(C(=O)c2ccccc2I)c1C
InChIInChI=1S/C17H17IO/c1-10-9-11(2)13(4)16(12(10)3)17(19)14-7-5-6-8-15(14)18/h5-9H,1-4H3
InChIKeyRENOWKMNKIEYTF-UHFFFAOYSA-N
XLogP4.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 54.76
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-iodophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430773
(2-phenoxyphenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 141202220
(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
CID 43626525
[2-[hydroxy-(2-methoxyphenyl)methyl]phenyl]-(2,3,5,6-tetramethylphenyl)methanone
CID 138973203
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
N-(4-hydroxy-2,6-dimethylphenyl)-2-iodobenzamide
CID 5120738
(2,5-dibromophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 114368449
N-(3-hydroxy-2,4-dimethylphenyl)-2-iodobenzamide
CID 61400668
(2-chlorophenyl)-(2,3,4,5,6-pentamethylphenyl)methanone
CID 43159787
(4-chloro-2,5-difluorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 82772594
(3-bromo-2,4,6-trimethylphenyl)-(2-methylphenyl)methanone
CID 114249214
(5-bromo-2-chlorophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43378825

Frequently Asked Questions

What is the IUPAC name of (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The IUPAC name of (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone (CID 43337332) is (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone.
What is the SMILES notation for (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The canonical SMILES for (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone is Cc1cc(C)c(C)c(C(=O)c2ccccc2I)c1C.
What is the InChIKey of (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
The InChIKey is RENOWKMNKIEYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO/c1-10-9-11(2)13(4)16(12(10)3)17(19)14-7-5-6-8-15(14)18/h5-9H,1-4H3.
What are the key properties of (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone?
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone has a molecular weight of 364.23 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone is sourced from PubChem (CID 43337332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).