(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone

C13H11ClOS — CID 107559906

IUPAC(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1ccc(C(=O)c2cscc2C)cc1Cl
InChIInChI=1S/C13H11ClOS/c1-8-3-4-10(5-12(8)14)13(15)11-7-16-6-9(11)2/h3-7H,1-2H3
InChIKeyQRUUVVJHKAZZDV-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.25
Rot. Bonds2

About (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone

(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone (PubChem CID 107559906) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
PubChem CID107559906
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone
SMILESCc1ccc(C(=O)c2cscc2C)cc1Cl
InChIInChI=1S/C13H11ClOS/c1-8-3-4-10(5-12(8)14)13(15)11-7-16-6-9(11)2/h3-7H,1-2H3
InChIKeyQRUUVVJHKAZZDV-UHFFFAOYSA-N
XLogP4.25
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803147
(3-chloro-4-methylphenyl)-(2,4-dichlorophenyl)methanone
CID 63492857
(4-bromophenyl)-(4-methylthiophen-3-yl)methanone
CID 79803148
(2-bromophenyl)-(3-chloro-4-methylphenyl)methanone
CID 24723106
(4-ethylphenyl)-(4-methylthiophen-3-yl)methanone
CID 79803234
(3-chloro-4-methylphenyl)-(4-chloronaphthalen-1-yl)methanone
CID 79591374
(3-bromo-4-methylphenyl)-(3-chloro-4-methylphenyl)methanone
CID 103693752
(2-chloro-4-methoxyphenyl)-(3-chloro-4-methylphenyl)methanone
CID 55196391
[3-bromo-4-(2-methoxyethoxy)phenyl]-(4-methylthiophen-3-yl)methanone
CID 104657138
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3-chloro-4-methylphenyl)-(4-methylsulfanylphenyl)methanone
CID 113241964
(3-chloro-4-methylphenyl)-[4-(dimethylamino)phenyl]methanone
CID 103693754

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone?
The IUPAC name of (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone (CID 107559906) is (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone.
What is the SMILES notation for (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone?
The canonical SMILES for (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone is Cc1ccc(C(=O)c2cscc2C)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone?
The InChIKey is QRUUVVJHKAZZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-8-3-4-10(5-12(8)14)13(15)11-7-16-6-9(11)2/h3-7H,1-2H3.
What are the key properties of (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone?
(3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone has a molecular weight of 250.75 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-(4-methylthiophen-3-yl)methanone is sourced from PubChem (CID 107559906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).