(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone

C12H9ClOS — CID 114975196

IUPAC(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(Cl)cc(C(=O)c2ccsc2)c1
InChIInChI=1S/C12H9ClOS/c1-8-4-10(6-11(13)5-8)12(14)9-2-3-15-7-9/h2-7H,1H3
InChIKeyQBZLDNVSWMJDHL-UHFFFAOYSA-N
MW236.72 g/mol
LogP3.94
Rot. Bonds2

About (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone

(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone (PubChem CID 114975196) has the molecular formula C12H9ClOS and a molecular weight of 236.72 g/mol. Its IUPAC name is (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
PubChem CID114975196
Molecular FormulaC12H9ClOS
Molecular Weight236.72 g/mol
Exact Mass236.01
IUPAC Name(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone
SMILESCc1cc(Cl)cc(C(=O)c2ccsc2)c1
InChIInChI=1S/C12H9ClOS/c1-8-4-10(6-11(13)5-8)12(14)9-2-3-15-7-9/h2-7H,1H3
InChIKeyQBZLDNVSWMJDHL-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

(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(4-bromo-3-methylphenyl)-thiophen-3-ylmethanone
CID 54181857
(3-chloro-5-methylphenyl)-(2-chlorophenyl)methanone
CID 114963332
(3-chloro-5-methylphenyl)-(3,4-dibromothiophen-2-yl)methanone
CID 81323702
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
CID 43625096
(3-chloro-5-methylphenyl)-(2,5-dichlorothiophen-3-yl)methanone
CID 81323467
(3-chloro-5-methylphenyl)-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762901
(3-chloro-5-methylphenyl)-(5-methylfuran-2-yl)methanone
CID 81323383
(5-chloro-2-hydroxyphenyl)-(3-chloro-5-methylphenyl)methanone
CID 11594340
bis(3,5-dimethylphenyl)methanone
CID 15640171
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(4-fluoro-2,6-dimethylphenyl)-thiophen-3-ylmethanone
CID 106876967

Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone (CID 114975196) is (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone is Cc1cc(Cl)cc(C(=O)c2ccsc2)c1.
What is the InChIKey of (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone?
The InChIKey is QBZLDNVSWMJDHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClOS/c1-8-4-10(6-11(13)5-8)12(14)9-2-3-15-7-9/h2-7H,1H3.
What are the key properties of (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone?
(3-chloro-5-methylphenyl)-thiophen-3-ylmethanone 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 (3-chloro-5-methylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 114975196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).