4-propanoyl-3,4-dihydro-2H-naphthalen-1-one

C13H14O2 — CID 20592810

IUPAC4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC(=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C13H14O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h3-6,11H,2,7-8H2,1H3
InChIKeyBFLNINMQTSACMG-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.73
Rot. Bonds2

About 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one

4-propanoyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 20592810) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID20592810
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-propanoyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCC(=O)C1CCC(=O)c2ccccc21
InChIInChI=1S/C13H14O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h3-6,11H,2,7-8H2,1H3
InChIKeyBFLNINMQTSACMG-UHFFFAOYSA-N
XLogP2.73
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one (CID 20592810) is 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one is CCC(=O)C1CCC(=O)c2ccccc21.
What is the InChIKey of 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is BFLNINMQTSACMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-12(14)11-7-8-13(15)10-6-4-3-5-9(10)11/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one?
4-propanoyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 202.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propanoyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 20592810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).