3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one

C16H22O2 — CID 64540894

IUPAC3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCCOC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C16H22O2/c1-3-18-12(2)16(17)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-5,7,10,12,14H,3,6,8-9,11H2,1-2H3
InChIKeyOSRJCPKTHNFKIN-UHFFFAOYSA-N
MW246.35 g/mol
LogP3.49
Rot. Bonds5

About 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one

3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (PubChem CID 64540894) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.

Molecular Properties

Compound Name3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
PubChem CID64540894
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCCOC(C)C(=O)CC1CCCc2ccccc21
InChIInChI=1S/C16H22O2/c1-3-18-12(2)16(17)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-5,7,10,12,14H,3,6,8-9,11H2,1-2H3
InChIKeyOSRJCPKTHNFKIN-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
3-methyl-4-(methylamino)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116586776
7-amino-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
CID 116574150
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 119583689
1,1-diethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 79495849
N-(1-aminopropan-2-yl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide;hydrochloride
CID 119583688
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-cyclopropyl-1-ethoxy-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-ol
CID 116712738
N-(3-hydroxybutyl)-N-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 111695405

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The IUPAC name of 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (CID 64540894) is 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.
What is the SMILES notation for 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The canonical SMILES for 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is CCOC(C)C(=O)CC1CCCc2ccccc21.
What is the InChIKey of 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The InChIKey is OSRJCPKTHNFKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2/c1-3-18-12(2)16(17)11-14-9-6-8-13-7-4-5-10-15(13)14/h4-5,7,10,12,14H,3,6,8-9,11H2,1-2H3.
What are the key properties of 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one has a molecular weight of 246.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is sourced from PubChem (CID 64540894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).