(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone

C13H10ClIOS — CID 103219617

IUPAC(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(I)c(Cl)c2)c(C)s1
InChIInChI=1S/C13H10ClIOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6H,1-2H3
InChIKeyGAYXZUGPBNYOBJ-UHFFFAOYSA-N
MW376.65 g/mol
LogP4.85
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone

(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone (PubChem CID 103219617) has the molecular formula C13H10ClIOS and a molecular weight of 376.65 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
PubChem CID103219617
Molecular FormulaC13H10ClIOS
Molecular Weight376.65 g/mol
Exact Mass375.92
IUPAC Name(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(I)c(Cl)c2)c(C)s1
InChIInChI=1S/C13H10ClIOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6H,1-2H3
InChIKeyGAYXZUGPBNYOBJ-UHFFFAOYSA-N
XLogP4.85
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.65
LogP ≤ 54.85
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

(4-bromo-3-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 81291094
(3,4-difluorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161396
(2,5-dimethylthiophen-3-yl)-naphthalen-2-ylmethanone
CID 43339492
(2,5-dimethylthiophen-3-yl)-(4-methylsulfonylphenyl)methanone
CID 43339488
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(2,5-dimethylthiophen-3-yl)-(4-ethylphenyl)methanone
CID 43161390
(3-chloro-4-iodophenyl)-(6-methyl-3-pyridinyl)methanone
CID 103214088
(3-chloro-4-iodophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 103214281
(3,5-dimethylphenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43161427
3-chloro-4-iodobenzoic acid
CID 18953341
(2,5-dimethylthiophen-3-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 43339470
(4-bromo-2-chlorophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 43805092

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone (CID 103219617) is (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(I)c(Cl)c2)c(C)s1.
What is the InChIKey of (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
The InChIKey is GAYXZUGPBNYOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIOS/c1-7-5-10(8(2)17-7)13(16)9-3-4-12(15)11(14)6-9/h3-6H,1-2H3.
What are the key properties of (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone?
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone has a molecular weight of 376.65 g/mol, XLogP of 4.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone is sourced from PubChem (CID 103219617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).