(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone

C16H15IO3 — CID 43626525

IUPAC(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccccc2I)cc1OC
InChIInChI=1S/C16H15IO3/c1-10-8-14(19-2)15(20-3)9-12(10)16(18)11-6-4-5-7-13(11)17/h4-9H,1-3H3
InChIKeyDCLVTLOMFNYYOX-UHFFFAOYSA-N
MW382.20 g/mol
LogP3.85
Rot. Bonds4

About (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone

(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone (PubChem CID 43626525) has the molecular formula C16H15IO3 and a molecular weight of 382.20 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
PubChem CID43626525
Molecular FormulaC16H15IO3
Molecular Weight382.20 g/mol
Exact Mass382.01
IUPAC Name(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccccc2I)cc1OC
InChIInChI=1S/C16H15IO3/c1-10-8-14(19-2)15(20-3)9-12(10)16(18)11-6-4-5-7-13(11)17/h4-9H,1-3H3
InChIKeyDCLVTLOMFNYYOX-UHFFFAOYSA-N
XLogP3.85
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.20
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2,5-dimethoxyphenyl)-(2-iodophenyl)methanone
CID 15888023
(2-iodophenyl)-(4-methoxyphenyl)methanone
CID 43160499
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 106860799
N-(2-amino-4,5-dimethoxyphenyl)-2-iodobenzamide
CID 43549160
(2-iodophenyl)-(2,3,5,6-tetramethylphenyl)methanone
CID 43337332
(2-iodophenyl)-(6-methoxynaphthalen-2-yl)methanone
CID 63491327
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380
1-(4,5-dimethoxy-2-methylphenyl)-2-(2-methylphenyl)ethanone
CID 43626555
4,5-dimethoxy-2-methylbenzoyl bromide
CID 116924582
(2,6-dimethoxyphenyl)-(2,4,5-trimethylphenyl)methanone
CID 112698836
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone (CID 43626525) is (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone is COc1cc(C)c(C(=O)c2ccccc2I)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone?
The InChIKey is DCLVTLOMFNYYOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO3/c1-10-8-14(19-2)15(20-3)9-12(10)16(18)11-6-4-5-7-13(11)17/h4-9H,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone?
(4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone has a molecular weight of 382.20 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl)-(2-iodophenyl)methanone is sourced from PubChem (CID 43626525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).