4-ethyl-7-methyl-2,3-dihydroinden-1-one

C12H14O — CID 18720358

IUPAC4-ethyl-7-methyl-2,3-dihydroinden-1-one
SMILESCCc1ccc(C)c2c1CCC2=O
InChIInChI=1S/C12H14O/c1-3-9-5-4-8(2)12-10(9)6-7-11(12)13/h4-5H,3,6-7H2,1-2H3
InChIKeySUIRRUJICKNRMN-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.69
Rot. Bonds1

About 4-ethyl-7-methyl-2,3-dihydroinden-1-one

4-ethyl-7-methyl-2,3-dihydroinden-1-one (PubChem CID 18720358) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 4-ethyl-7-methyl-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-ethyl-7-methyl-2,3-dihydroinden-1-one
PubChem CID18720358
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name4-ethyl-7-methyl-2,3-dihydroinden-1-one
SMILESCCc1ccc(C)c2c1CCC2=O
InChIInChI=1S/C12H14O/c1-3-9-5-4-8(2)12-10(9)6-7-11(12)13/h4-5H,3,6-7H2,1-2H3
InChIKeySUIRRUJICKNRMN-UHFFFAOYSA-N
XLogP2.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-7-methyl-2,3-dihydroinden-1-one?
The IUPAC name of 4-ethyl-7-methyl-2,3-dihydroinden-1-one (CID 18720358) is 4-ethyl-7-methyl-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-ethyl-7-methyl-2,3-dihydroinden-1-one?
The canonical SMILES for 4-ethyl-7-methyl-2,3-dihydroinden-1-one is CCc1ccc(C)c2c1CCC2=O.
What is the InChIKey of 4-ethyl-7-methyl-2,3-dihydroinden-1-one?
The InChIKey is SUIRRUJICKNRMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c1-3-9-5-4-8(2)12-10(9)6-7-11(12)13/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 4-ethyl-7-methyl-2,3-dihydroinden-1-one?
4-ethyl-7-methyl-2,3-dihydroinden-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-7-methyl-2,3-dihydroinden-1-one is sourced from PubChem (CID 18720358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).