(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

C14H13IO2S — CID 65237438

IUPAC(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C14H13IO2S/c1-8-6-13(18-9(8)2)14(16)11-7-10(15)4-5-12(11)17-3/h4-7H,1-3H3
InChIKeyRUVCJHAYVWCIGK-UHFFFAOYSA-N
MW372.23 g/mol
LogP4.21
Rot. Bonds3

About (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 65237438) has the molecular formula C14H13IO2S and a molecular weight of 372.23 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID65237438
Molecular FormulaC14H13IO2S
Molecular Weight372.23 g/mol
Exact Mass371.97
IUPAC Name(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1cc(C)c(C)s1
InChIInChI=1S/C14H13IO2S/c1-8-6-13(18-9(8)2)14(16)11-7-10(15)4-5-12(11)17-3/h4-7H,1-3H3
InChIKeyRUVCJHAYVWCIGK-UHFFFAOYSA-N
XLogP4.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.23
LogP ≤ 54.21
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

(4,5-dibromothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80536150
(2,4-dimethoxyphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 114971223
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738
(5-iodo-2-methoxyphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 43339717
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
6,7-dihydro-4H-thieno[3,2-c]thiopyran-2-yl-(5-iodo-2-methoxyphenyl)methanone
CID 81270140
(5-bromo-2-methylphenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 65306724
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(2,4-difluoro-5-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 79732770
2-(3,4-dimethylphenyl)-1-(5-iodo-2-methoxyphenyl)ethanone
CID 63490949

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (CID 65237438) is (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1cc(C)c(C)s1.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is RUVCJHAYVWCIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IO2S/c1-8-6-13(18-9(8)2)14(16)11-7-10(15)4-5-12(11)17-3/h4-7H,1-3H3.
What are the key properties of (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
(4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 372.23 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 65237438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).