7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one

C13H16O — CID 84618710

IUPAC7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(=O)CC(C)C2
InChIInChI=1S/C13H16O/c1-3-10-4-5-11-6-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyUGHZQEAXUYGGGA-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.01
Rot. Bonds1

About 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one

7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 84618710) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
PubChem CID84618710
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one
SMILESCCc1ccc2c(c1)C(=O)CC(C)C2
InChIInChI=1S/C13H16O/c1-3-10-4-5-11-6-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyUGHZQEAXUYGGGA-UHFFFAOYSA-N
XLogP3.01
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one (CID 84618710) is 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one is CCc1ccc2c(c1)C(=O)CC(C)C2.
What is the InChIKey of 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is UGHZQEAXUYGGGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-3-10-4-5-11-6-9(2)7-13(14)12(11)8-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one?
7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 188.27 g/mol, XLogP of 3.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 84618710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).