(4-propan-2-ylphenyl)-thiophen-3-ylmethanone

C14H14OS — CID 43625096

IUPAC(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
SMILESCC(C)c1ccc(C(=O)c2ccsc2)cc1
InChIInChI=1S/C14H14OS/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-10H,1-2H3
InChIKeyZVOYYKNWCDEPRW-UHFFFAOYSA-N
MW230.33 g/mol
LogP4.10
Rot. Bonds3

About (4-propan-2-ylphenyl)-thiophen-3-ylmethanone

(4-propan-2-ylphenyl)-thiophen-3-ylmethanone (PubChem CID 43625096) has the molecular formula C14H14OS and a molecular weight of 230.33 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
PubChem CID43625096
Molecular FormulaC14H14OS
Molecular Weight230.33 g/mol
Exact Mass230.08
IUPAC Name(4-propan-2-ylphenyl)-thiophen-3-ylmethanone
SMILESCC(C)c1ccc(C(=O)c2ccsc2)cc1
InChIInChI=1S/C14H14OS/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-10H,1-2H3
InChIKeyZVOYYKNWCDEPRW-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-propan-2-ylphenyl)-thiophen-3-ylmethanone (CID 43625096) is (4-propan-2-ylphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-propan-2-ylphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-propan-2-ylphenyl)-thiophen-3-ylmethanone is CC(C)c1ccc(C(=O)c2ccsc2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-thiophen-3-ylmethanone?
The InChIKey is ZVOYYKNWCDEPRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS/c1-10(2)11-3-5-12(6-4-11)14(15)13-7-8-16-9-13/h3-10H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-thiophen-3-ylmethanone?
(4-propan-2-ylphenyl)-thiophen-3-ylmethanone has a molecular weight of 230.33 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43625096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).