[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone

C15H16OS — CID 7130608

IUPAC[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C15H16OS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11H,10H2,1-2H3
InChIKeyBWWFWPJFTJDYID-UHFFFAOYSA-N
MW244.36 g/mol
LogP4.18
Rot. Bonds4

About [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone

[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone (PubChem CID 7130608) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone
PubChem CID7130608
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone
SMILESCC(C)Cc1ccc(C(=O)c2cccs2)cc1
InChIInChI=1S/C15H16OS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11H,10H2,1-2H3
InChIKeyBWWFWPJFTJDYID-UHFFFAOYSA-N
XLogP4.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone (CID 7130608) is [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone is CC(C)Cc1ccc(C(=O)c2cccs2)cc1.
What is the InChIKey of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone?
The InChIKey is BWWFWPJFTJDYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11(2)10-12-5-7-13(8-6-12)15(16)14-4-3-9-17-14/h3-9,11H,10H2,1-2H3.
What are the key properties of [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone?
[4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone has a molecular weight of 244.36 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylpropyl)phenyl]-thiophen-2-ylmethanone is sourced from PubChem (CID 7130608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).