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

C12H8Cl2O2S — CID 115781749

IUPAC(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCOc1cc(C(=O)c2sccc2Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2O2S/c1-16-10-6-7(2-3-8(10)13)11(15)12-9(14)4-5-17-12/h2-6H,1H3
InChIKeyFASMXPQZGIEISL-UHFFFAOYSA-N
MW287.17 g/mol
LogP4.29
Rot. Bonds3

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

(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone (PubChem CID 115781749) has the molecular formula C12H8Cl2O2S and a molecular weight of 287.17 g/mol. Its IUPAC name is (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone.

Molecular Properties

Compound Name(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
PubChem CID115781749
Molecular FormulaC12H8Cl2O2S
Molecular Weight287.17 g/mol
Exact Mass285.96
IUPAC Name(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
SMILESCOc1cc(C(=O)c2sccc2Cl)ccc1Cl
InChIInChI=1S/C12H8Cl2O2S/c1-16-10-6-7(2-3-8(10)13)11(15)12-9(14)4-5-17-12/h2-6H,1H3
InChIKeyFASMXPQZGIEISL-UHFFFAOYSA-N
XLogP4.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.17
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3-chloro-4-methoxyphenyl)-(3-methoxythiophen-2-yl)methanone
CID 81127145
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(5-methoxy-3-pyridinyl)methanone
CID 115793411
1-(4-chloro-3-methoxyphenyl)ethanone
CID 18699227
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(3-chlorothiophen-2-yl)-(5-iodo-2-methoxyphenyl)methanone
CID 80643991
(4-chloro-3-methoxyphenyl)-pyridin-2-ylmethanone
CID 79018159
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(2-chloro-4-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80644949

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The IUPAC name of (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone (CID 115781749) is (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone.
What is the SMILES notation for (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The canonical SMILES for (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone is COc1cc(C(=O)c2sccc2Cl)ccc1Cl.
What is the InChIKey of (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
The InChIKey is FASMXPQZGIEISL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2O2S/c1-16-10-6-7(2-3-8(10)13)11(15)12-9(14)4-5-17-12/h2-6H,1H3.
What are the key properties of (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone?
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone has a molecular weight of 287.17 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone is sourced from PubChem (CID 115781749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).