(5-chlorothiophen-2-yl)-phenylmethanone

C11H7ClOS — CID 901505

IUPAC(5-chlorothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H
InChIKeyHGDKOUQMGFUNRP-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.63
Rot. Bonds2

About (5-chlorothiophen-2-yl)-phenylmethanone

(5-chlorothiophen-2-yl)-phenylmethanone (PubChem CID 901505) has the molecular formula C11H7ClOS and a molecular weight of 222.70 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-phenylmethanone
PubChem CID901505
Molecular FormulaC11H7ClOS
Molecular Weight222.70 g/mol
Exact Mass221.99
IUPAC Name(5-chlorothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(Cl)s1
InChIInChI=1S/C11H7ClOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H
InChIKeyHGDKOUQMGFUNRP-UHFFFAOYSA-N
XLogP3.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-chlorothiophen-2-yl)-phenylmethanone (CID 901505) is (5-chlorothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-phenylmethanone?
The InChIKey is HGDKOUQMGFUNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClOS/c12-10-7-6-9(14-10)11(13)8-4-2-1-3-5-8/h1-7H.
What are the key properties of (5-chlorothiophen-2-yl)-phenylmethanone?
(5-chlorothiophen-2-yl)-phenylmethanone has a molecular weight of 222.70 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 901505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).