(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone

C15H13ClOS — CID 102763056

IUPAC(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(c3ccccc3)CC2)sc1Cl
InChIInChI=1S/C15H13ClOS/c1-10-9-12(18-14(10)16)13(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyRJVBEFQBVSOLMA-UHFFFAOYSA-N
MW276.79 g/mol
LogP4.62
Rot. Bonds3

About (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone

(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 102763056) has the molecular formula C15H13ClOS and a molecular weight of 276.79 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
PubChem CID102763056
Molecular FormulaC15H13ClOS
Molecular Weight276.79 g/mol
Exact Mass276.04
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone
SMILESCc1cc(C(=O)C2(c3ccccc3)CC2)sc1Cl
InChIInChI=1S/C15H13ClOS/c1-10-9-12(18-14(10)16)13(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyRJVBEFQBVSOLMA-UHFFFAOYSA-N
XLogP4.62
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone (CID 102763056) is (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone is Cc1cc(C(=O)C2(c3ccccc3)CC2)sc1Cl.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is RJVBEFQBVSOLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClOS/c1-10-9-12(18-14(10)16)13(17)15(7-8-15)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 276.79 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 102763056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).