(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone

C11H5Cl2IOS — CID 103219782

IUPAC(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1sccc1Cl
InChIInChI=1S/C11H5Cl2IOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H
InChIKeyZZGWRLNOVYRWBL-UHFFFAOYSA-N
MW383.04 g/mol
LogP4.89
Rot. Bonds2

About (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone

(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 103219782) has the molecular formula C11H5Cl2IOS and a molecular weight of 383.04 g/mol. Its IUPAC name is (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID103219782
Molecular FormulaC11H5Cl2IOS
Molecular Weight383.04 g/mol
Exact Mass381.85
IUPAC Name(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
SMILESO=C(c1ccc(I)c(Cl)c1)c1sccc1Cl
InChIInChI=1S/C11H5Cl2IOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H
InChIKeyZZGWRLNOVYRWBL-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.04
LogP ≤ 54.89
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-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(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-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
3-chloro-4-iodobenzoic acid
CID 18953341
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
CID 80529759
3-chloro-4-iodobenzamide
CID 94675118
(3-chloro-4-iodophenyl)-(2,5-dimethylthiophen-3-yl)methanone
CID 103219617

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone (CID 103219782) is (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone is O=C(c1ccc(I)c(Cl)c1)c1sccc1Cl.
What is the InChIKey of (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is ZZGWRLNOVYRWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl2IOS/c12-7-3-4-16-11(7)10(15)6-1-2-9(14)8(13)5-6/h1-5H.
What are the key properties of (3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone?
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 383.04 g/mol, XLogP of 4.89, 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)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 103219782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).