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

C17H24O2 — CID 105082812

IUPAC4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCCCOCCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c1-2-11-19-12-10-16(18)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15H,2,5,7-8,10-13H2,1H3
InChIKeyZKWZMWABJFEXFK-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.88
Rot. Bonds7

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

4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (PubChem CID 105082812) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.

Molecular Properties

Compound Name4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
PubChem CID105082812
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
SMILESCCCOCCC(=O)CC1CCCc2ccccc21
InChIInChI=1S/C17H24O2/c1-2-11-19-12-10-16(18)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15H,2,5,7-8,10-13H2,1H3
InChIKeyZKWZMWABJFEXFK-UHFFFAOYSA-N
XLogP3.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-dihydro-1H-isochromen-1-yl)-4-propoxybutan-2-one
CID 114984029
1-(ethylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116562462
1-methylsulfanyl-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 63772473
7-amino-5,5-dimethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)heptan-2-one
CID 116574746
3-amino-4-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 116593963
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-propoxypropan-2-one
CID 66416837
3-methoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)hexan-2-one
CID 116708142
4-(oxolan-2-yl)-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 114964228
1-(butan-2-ylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116556095
3-ethoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 64540894
1-(cyclopentylamino)-3-(1,2,3,4-tetrahydronaphthalen-1-yl)propan-2-one
CID 116558983
3-methoxy-3-methyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one
CID 79197981

Frequently Asked Questions

What is the IUPAC name of 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The IUPAC name of 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one (CID 105082812) is 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one.
What is the SMILES notation for 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The canonical SMILES for 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is CCCOCCC(=O)CC1CCCc2ccccc21.
What is the InChIKey of 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
The InChIKey is ZKWZMWABJFEXFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-2-11-19-12-10-16(18)13-15-8-5-7-14-6-3-4-9-17(14)15/h3-4,6,9,15H,2,5,7-8,10-13H2,1H3.
What are the key properties of 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one?
4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one has a molecular weight of 260.38 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propoxy-1-(1,2,3,4-tetrahydronaphthalen-1-yl)butan-2-one is sourced from PubChem (CID 105082812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).