(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

C12H8ClIO2S — CID 80643991

IUPAC(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1sccc1Cl
InChIInChI=1S/C12H8ClIO2S/c1-16-10-3-2-7(14)6-8(10)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeySKMSLHIKOUKXSD-UHFFFAOYSA-N
MW378.62 g/mol
LogP4.25
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone

(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (PubChem CID 80643991) has the molecular formula C12H8ClIO2S and a molecular weight of 378.62 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
PubChem CID80643991
Molecular FormulaC12H8ClIO2S
Molecular Weight378.62 g/mol
Exact Mass377.90
IUPAC Name(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
SMILESCOc1ccc(I)cc1C(=O)c1sccc1Cl
InChIInChI=1S/C12H8ClIO2S/c1-16-10-3-2-7(14)6-8(10)11(15)12-9(13)4-5-17-12/h2-6H,1H3
InChIKeySKMSLHIKOUKXSD-UHFFFAOYSA-N
XLogP4.25
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.62
LogP ≤ 54.25
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-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(2,5-dimethoxyphenyl)-(3-methylthiophen-2-yl)methanone
CID 43462545
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(5-iodo-2-methoxyphenyl)-(4-iodophenyl)methanone
CID 43339710
(4-bromo-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 43805097
(5-bromothiophen-3-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 107959880
(5-iodo-2-methoxyphenyl)-phenylmethanone
CID 43161664
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(3-bromothiophen-2-yl)-(2,5-dimethoxyphenyl)methanone
CID 63797545
(3-amino-2-chlorophenyl)-(5-iodo-2-methoxyphenyl)methanone
CID 112580769
(5-iodo-2-methoxyphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43339738

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone (CID 80643991) is (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is COc1ccc(I)cc1C(=O)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
The InChIKey is SKMSLHIKOUKXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClIO2S/c1-16-10-3-2-7(14)6-8(10)11(15)12-9(13)4-5-17-12/h2-6H,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone?
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone has a molecular weight of 378.62 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone is sourced from PubChem (CID 80643991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).