1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

C15H20O — CID 70569810

IUPAC1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCCC(=O)C1CCC(CC)c2ccccc21
InChIInChI=1S/C15H20O/c1-3-11-9-10-14(15(16)4-2)13-8-6-5-7-12(11)13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyPELJGQONEJEFAE-UHFFFAOYSA-N
MW216.32 g/mol
LogP4.04
Rot. Bonds3

About 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one

1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (PubChem CID 70569810) has the molecular formula C15H20O and a molecular weight of 216.32 g/mol. Its IUPAC name is 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
PubChem CID70569810
Molecular FormulaC15H20O
Molecular Weight216.32 g/mol
Exact Mass216.15
IUPAC Name1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one
SMILESCCC(=O)C1CCC(CC)c2ccccc21
InChIInChI=1S/C15H20O/c1-3-11-9-10-14(15(16)4-2)13-8-6-5-7-12(11)13/h5-8,11,14H,3-4,9-10H2,1-2H3
InChIKeyPELJGQONEJEFAE-UHFFFAOYSA-N
XLogP4.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The IUPAC name of 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one (CID 70569810) is 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one.
What is the SMILES notation for 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The canonical SMILES for 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is CCC(=O)C1CCC(CC)c2ccccc21.
What is the InChIKey of 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
The InChIKey is PELJGQONEJEFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O/c1-3-11-9-10-14(15(16)4-2)13-8-6-5-7-12(11)13/h5-8,11,14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one?
1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one has a molecular weight of 216.32 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)propan-1-one is sourced from PubChem (CID 70569810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).