2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one

C14H12OS — CID 22173067

IUPAC2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(cccc2-c2cccs2)C1=O
InChIInChI=1S/C14H12OS/c1-9-8-12-10(13-6-3-7-16-13)4-2-5-11(12)14(9)15/h2-7,9H,8H2,1H3
InChIKeyZNZNYAJOZRJAAW-UHFFFAOYSA-N
MW228.32 g/mol
LogP3.79
Rot. Bonds1

About 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one

2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one (PubChem CID 22173067) has the molecular formula C14H12OS and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
PubChem CID22173067
Molecular FormulaC14H12OS
Molecular Weight228.32 g/mol
Exact Mass228.06
IUPAC Name2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one
SMILESCC1Cc2c(cccc2-c2cccs2)C1=O
InChIInChI=1S/C14H12OS/c1-9-8-12-10(13-6-3-7-16-13)4-2-5-11(12)14(9)15/h2-7,9H,8H2,1H3
InChIKeyZNZNYAJOZRJAAW-UHFFFAOYSA-N
XLogP3.79
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one?
The IUPAC name of 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one (CID 22173067) is 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one?
The canonical SMILES for 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one is CC1Cc2c(cccc2-c2cccs2)C1=O.
What is the InChIKey of 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one?
The InChIKey is ZNZNYAJOZRJAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS/c1-9-8-12-10(13-6-3-7-16-13)4-2-5-11(12)14(9)15/h2-7,9H,8H2,1H3.
What are the key properties of 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one?
2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one has a molecular weight of 228.32 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-thiophen-2-yl-2,3-dihydroinden-1-one is sourced from PubChem (CID 22173067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).