(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone

C12H9ClOS — CID 65099409

IUPAC(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H9ClOS/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3
InChIKeyUJFBKSWDGYPLEO-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.94
Rot. Bonds2

About (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone

(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone (PubChem CID 65099409) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
PubChem CID65099409
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
SMILESCc1cc(C(=O)c2ccc(Cl)cc2)cs1
InChIInChI=1S/C12H9ClOS/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3
InChIKeyUJFBKSWDGYPLEO-UHFFFAOYSA-N
XLogP3.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.72
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,4-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114975995
(2-amino-4-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 12750547
(2,6-dichlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976016
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-amino-3-bromophenyl)-(5-methylthiophen-3-yl)methanone
CID 116582141
2,3-dihydro-1H-isoindol-5-yl-(5-methylthiophen-3-yl)methanone
CID 116613125
(4-bromo-2-chlorophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976021
(3-chloro-4-pyridinyl)-(5-methylthiophen-3-yl)methanone
CID 105106195
(4-chlorophenyl)-(3-methyl-6H-thieno[2,3-b]pyrrol-5-yl)methanone
CID 57085354
(2-iodophenyl)-(5-methylthiophen-3-yl)methanone
CID 114976064
(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The IUPAC name of (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone (CID 65099409) is (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone.
What is the SMILES notation for (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The canonical SMILES for (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone is Cc1cc(C(=O)c2ccc(Cl)cc2)cs1.
What is the InChIKey of (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
The InChIKey is UJFBKSWDGYPLEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-6-10(7-15-8)12(14)9-2-4-11(13)5-3-9/h2-7H,1H3.
What are the key properties of (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone?
(4-chlorophenyl)-(5-methylthiophen-3-yl)methanone has a molecular weight of 236.72 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-(5-methylthiophen-3-yl)methanone is sourced from PubChem (CID 65099409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).