(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone

C13H11ClOS — CID 80529759

IUPAC(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2sccc2Cl)cc1
InChIInChI=1S/C13H11ClOS/c1-2-9-3-5-10(6-4-9)12(15)13-11(14)7-8-16-13/h3-8H,2H2,1H3
InChIKeyBIHLNVGJLSHTEM-UHFFFAOYSA-N
MW250.75 g/mol
LogP4.19
Rot. Bonds3

About (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone

(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone (PubChem CID 80529759) has the molecular formula C13H11ClOS and a molecular weight of 250.75 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
PubChem CID80529759
Molecular FormulaC13H11ClOS
Molecular Weight250.75 g/mol
Exact Mass250.02
IUPAC Name(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2sccc2Cl)cc1
InChIInChI=1S/C13H11ClOS/c1-2-9-3-5-10(6-4-9)12(15)13-11(14)7-8-16-13/h3-8H,2H2,1H3
InChIKeyBIHLNVGJLSHTEM-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.75
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007
(4-amino-3-chlorophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80641909
(4-amino-3-methylphenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531509
(4-chloro-3-methoxyphenyl)-(3-chlorothiophen-2-yl)methanone
CID 115781749
1-(3-chlorothiophen-2-yl)-2-(5-ethyl-2-pyridinyl)ethanone
CID 115786172
(3-chlorothiophen-2-yl)-(6-methoxynaphthalen-2-yl)methanone
CID 80645338
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
(3-chlorothiophen-2-yl)-(1-propylpyrazol-4-yl)methanone
CID 114963805
4-[[(3-chlorothiophene-2-carbonyl)-methylamino]methyl]benzoic acid
CID 80644635
4-ethylbenzoyl iodide
CID 89147367
(4-amino-3-bromophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80642043

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone (CID 80529759) is (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone is CCc1ccc(C(=O)c2sccc2Cl)cc1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone?
The InChIKey is BIHLNVGJLSHTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClOS/c1-2-9-3-5-10(6-4-9)12(15)13-11(14)7-8-16-13/h3-8H,2H2,1H3.
What are the key properties of (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone?
(3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone has a molecular weight of 250.75 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-(4-ethylphenyl)methanone is sourced from PubChem (CID 80529759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).