2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one

C15H14OS — CID 150420328

IUPAC2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one
SMILESCc1ccsc1-c1cccc2c1C(=O)C(C)C2
InChIInChI=1S/C15H14OS/c1-9-6-7-17-15(9)12-5-3-4-11-8-10(2)14(16)13(11)12/h3-7,10H,8H2,1-2H3
InChIKeyHHQHPNNGSSVRNA-UHFFFAOYSA-N
MW242.34 g/mol
LogP4.10
Rot. Bonds1

About 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one

2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one (PubChem CID 150420328) has the molecular formula C15H14OS and a molecular weight of 242.34 g/mol. Its IUPAC name is 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one
PubChem CID150420328
Molecular FormulaC15H14OS
Molecular Weight242.34 g/mol
Exact Mass242.08
IUPAC Name2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one
SMILESCc1ccsc1-c1cccc2c1C(=O)C(C)C2
InChIInChI=1S/C15H14OS/c1-9-6-7-17-15(9)12-5-3-4-11-8-10(2)14(16)13(11)12/h3-7,10H,8H2,1-2H3
InChIKeyHHQHPNNGSSVRNA-UHFFFAOYSA-N
XLogP4.10
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.34
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one?
The IUPAC name of 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one (CID 150420328) is 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one?
The canonical SMILES for 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one is Cc1ccsc1-c1cccc2c1C(=O)C(C)C2.
What is the InChIKey of 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one?
The InChIKey is HHQHPNNGSSVRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS/c1-9-6-7-17-15(9)12-5-3-4-11-8-10(2)14(16)13(11)12/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one?
2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one has a molecular weight of 242.34 g/mol, XLogP of 4.10, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-(3-methylthiophen-2-yl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 150420328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).