(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone

C17H17IO2 — CID 43339738

IUPAC(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H17IO2/c1-10-7-11(2)16(12(3)8-10)17(19)14-9-13(18)5-6-15(14)20-4/h5-9H,1-4H3
InChIKeyPRIJTWXNANBZDF-UHFFFAOYSA-N
MW380.23 g/mol
LogP4.46
Rot. Bonds3

About (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone

(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone (PubChem CID 43339738) has the molecular formula C17H17IO2 and a molecular weight of 380.23 g/mol. Its IUPAC name is (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
PubChem CID43339738
Molecular FormulaC17H17IO2
Molecular Weight380.23 g/mol
Exact Mass380.03
IUPAC Name(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1c(C)cc(C)cc1C
InChIInChI=1S/C17H17IO2/c1-10-7-11(2)16(12(3)8-10)17(19)14-9-13(18)5-6-15(14)20-4/h5-9H,1-4H3
InChIKeyPRIJTWXNANBZDF-UHFFFAOYSA-N
XLogP4.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-4,6-dimethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 106681983
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 65237438
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
N-(2-methoxy-5-methylphenyl)-2,4,6-trimethylbenzamide
CID 19174112
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949
cyclopropyl-(5-iodo-2-methoxyphenyl)methanone
CID 43161691
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991

Frequently Asked Questions

What is the IUPAC name of (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone (CID 43339738) is (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone is COc1ccc(I)cc1C(=O)c1c(C)cc(C)cc1C.
What is the InChIKey of (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone?
The InChIKey is PRIJTWXNANBZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17IO2/c1-10-7-11(2)16(12(3)8-10)17(19)14-9-13(18)5-6-15(14)20-4/h5-9H,1-4H3.
What are the key properties of (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone?
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone has a molecular weight of 380.23 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 43339738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).