(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone

C13H11ClOS — CID 106860754

IUPAC(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C13H11ClOS/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12/h3-7H,1-2H3
InChIKeyABLGICATTBHWKZ-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.25
Rot. Bonds2

About (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone

(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone (PubChem CID 106860754) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
PubChem CID106860754
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name(2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1
InChIInChI=1S/C13H11ClOS/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12/h3-7H,1-2H3
InChIKeyABLGICATTBHWKZ-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

(2-chloro-4-methoxyphenyl)-(5-methylthiophen-2-yl)methanone
CID 43561630
methyl 2-[5-(2-chloro-4-methylbenzoyl)thiophen-2-yl]acetate
CID 106860860
(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)-(5-methylthiophen-2-yl)methanone
CID 43463549
(2-chloro-4-methylphenyl)-[2-(trifluoromethyl)-1,3-thiazol-5-yl]methanone
CID 106865255
(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(4-bromo-2-chlorophenyl)-(5-chlorothiophen-2-yl)methanone
CID 43805082
(4-amino-3,5-dichlorophenyl)-(5-methylthiophen-2-yl)methanone
CID 116609801
(5-methylthiophen-2-yl)-(2,4,5-trifluorophenyl)methanone
CID 103301284
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
(2-chloro-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 106860734
(5-bromofuran-2-yl)-(2-chloro-4-methylphenyl)methanone
CID 106860843
(2-chloro-4-methylphenyl)-(1,2-thiazol-3-yl)methanone
CID 130624383

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone (CID 106860754) is (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone is Cc1ccc(C(=O)c2ccc(C)s2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone?
The InChIKey is ABLGICATTBHWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-8-3-5-10(11(14)7-8)13(15)12-6-4-9(2)16-12/h3-7H,1-2H3.
What are the key properties of (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone?
(2-chloro-4-methylphenyl)-(5-methylthiophen-2-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 (2-chloro-4-methylphenyl)-(5-methylthiophen-2-yl)methanone is sourced from PubChem (CID 106860754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).