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

C13H16O — CID 10877906

IUPAC2-propyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCC1CCc2ccccc2C1=O
InChIInChI=1S/C13H16O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11H,2,5,8-9H2,1H3
InChIKeyNEIXTUUIVUTILQ-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.23
Rot. Bonds2

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

2-propyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10877906) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-propyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name2-propyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10877906
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-propyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCCC1CCc2ccccc2C1=O
InChIInChI=1S/C13H16O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11H,2,5,8-9H2,1H3
InChIKeyNEIXTUUIVUTILQ-UHFFFAOYSA-N
XLogP3.23
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 2-propyl-3,4-dihydro-2H-naphthalen-1-one (CID 10877906) is 2-propyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 2-propyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 2-propyl-3,4-dihydro-2H-naphthalen-1-one is CCCC1CCc2ccccc2C1=O.
What is the InChIKey of 2-propyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is NEIXTUUIVUTILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-2-5-11-9-8-10-6-3-4-7-12(10)13(11)14/h3-4,6-7,11H,2,5,8-9H2,1H3.
What are the key properties of 2-propyl-3,4-dihydro-2H-naphthalen-1-one?
2-propyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10877906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).