(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone

C14H11ClOS — CID 62879150

IUPAC(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H11ClOS/c15-12-7-6-11(17-12)13(16)14(8-9-14)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyLYSIGCWROZXDTP-UHFFFAOYSA-N
MW262.76 g/mol
LogP4.32
Rot. Bonds3

About (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone

(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 62879150) has the molecular formula C14H11ClOS and a molecular weight of 262.76 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone
PubChem CID62879150
Molecular FormulaC14H11ClOS
Molecular Weight262.76 g/mol
Exact Mass262.02
IUPAC Name(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1ccc(Cl)s1)C1(c2ccccc2)CC1
InChIInChI=1S/C14H11ClOS/c15-12-7-6-11(17-12)13(16)14(8-9-14)10-4-2-1-3-5-10/h1-7H,8-9H2
InChIKeyLYSIGCWROZXDTP-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.76
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone (CID 62879150) is (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone is O=C(c1ccc(Cl)s1)C1(c2ccccc2)CC1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is LYSIGCWROZXDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClOS/c15-12-7-6-11(17-12)13(16)14(8-9-14)10-4-2-1-3-5-10/h1-7H,8-9H2.
What are the key properties of (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone?
(5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 262.76 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 62879150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).