(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone

C11H6ClIOS — CID 80529870

IUPAC(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1sccc1Cl
InChIInChI=1S/C11H6ClIOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H
InChIKeyBILXCHJBAXPEJX-UHFFFAOYSA-N
MW348.59 g/mol
LogP4.24
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone

(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone (PubChem CID 80529870) has the molecular formula C11H6ClIOS and a molecular weight of 348.59 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
PubChem CID80529870
Molecular FormulaC11H6ClIOS
Molecular Weight348.59 g/mol
Exact Mass347.89
IUPAC Name(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
SMILESO=C(c1cccc(I)c1)c1sccc1Cl
InChIInChI=1S/C11H6ClIOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H
InChIKeyBILXCHJBAXPEJX-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.59
LogP ≤ 54.24
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

(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(3-propan-2-yloxyphenyl)methanone
CID 80529913
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(3-iodophenyl)-(2,3,4,6-tetrachlorophenyl)methanone
CID 105349171
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone (CID 80529870) is (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone is O=C(c1cccc(I)c1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone?
The InChIKey is BILXCHJBAXPEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClIOS/c12-9-4-5-15-11(9)10(14)7-2-1-3-8(13)6-7/h1-6H.
What are the key properties of (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone?
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone has a molecular weight of 348.59 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(3-iodophenyl)methanone is sourced from PubChem (CID 80529870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).