3-methyl-6-propoxy-2,3-dihydroinden-1-one

C13H16O2 — CID 63820814

IUPAC3-methyl-6-propoxy-2,3-dihydroinden-1-one
SMILESCCCOc1ccc2c(c1)C(=O)CC2C
InChIInChI=1S/C13H16O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyVAARENKFGWCWBJ-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.17
Rot. Bonds3

About 3-methyl-6-propoxy-2,3-dihydroinden-1-one

3-methyl-6-propoxy-2,3-dihydroinden-1-one (PubChem CID 63820814) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is 3-methyl-6-propoxy-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name3-methyl-6-propoxy-2,3-dihydroinden-1-one
PubChem CID63820814
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name3-methyl-6-propoxy-2,3-dihydroinden-1-one
SMILESCCCOc1ccc2c(c1)C(=O)CC2C
InChIInChI=1S/C13H16O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyVAARENKFGWCWBJ-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-propoxy-2,3-dihydroinden-1-one?
The IUPAC name of 3-methyl-6-propoxy-2,3-dihydroinden-1-one (CID 63820814) is 3-methyl-6-propoxy-2,3-dihydroinden-1-one.
What is the SMILES notation for 3-methyl-6-propoxy-2,3-dihydroinden-1-one?
The canonical SMILES for 3-methyl-6-propoxy-2,3-dihydroinden-1-one is CCCOc1ccc2c(c1)C(=O)CC2C.
What is the InChIKey of 3-methyl-6-propoxy-2,3-dihydroinden-1-one?
The InChIKey is VAARENKFGWCWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-3-6-15-10-4-5-11-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 3-methyl-6-propoxy-2,3-dihydroinden-1-one?
3-methyl-6-propoxy-2,3-dihydroinden-1-one has a molecular weight of 204.27 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-propoxy-2,3-dihydroinden-1-one is sourced from PubChem (CID 63820814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).