1-(2-propoxynaphthalen-1-yl)butan-1-one

C17H20O2 — CID 82263091

IUPAC1-(2-propoxynaphthalen-1-yl)butan-1-one
SMILESCCCOc1ccc2ccccc2c1C(=O)CCC
InChIInChI=1S/C17H20O2/c1-3-7-15(18)17-14-9-6-5-8-13(14)10-11-16(17)19-12-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyFBGLOTDBMYZWPQ-UHFFFAOYSA-N
MW256.34 g/mol
LogP4.61
Rot. Bonds6

About 1-(2-propoxynaphthalen-1-yl)butan-1-one

1-(2-propoxynaphthalen-1-yl)butan-1-one (PubChem CID 82263091) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is 1-(2-propoxynaphthalen-1-yl)butan-1-one.

Molecular Properties

Compound Name1-(2-propoxynaphthalen-1-yl)butan-1-one
PubChem CID82263091
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name1-(2-propoxynaphthalen-1-yl)butan-1-one
SMILESCCCOc1ccc2ccccc2c1C(=O)CCC
InChIInChI=1S/C17H20O2/c1-3-7-15(18)17-14-9-6-5-8-13(14)10-11-16(17)19-12-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3
InChIKeyFBGLOTDBMYZWPQ-UHFFFAOYSA-N
XLogP4.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(2-butoxynaphthalen-1-yl)ethanone
CID 126570485
methyl 4-(2-ethoxynaphthalen-1-yl)-4-oxobutanoate
CID 82550382
cyclohexyl-(2-propoxynaphthalen-1-yl)methanone
CID 82550350
(3-aminophenyl)-(2-propoxynaphthalen-1-yl)methanone
CID 82263104
methyl 2-decoxynaphthalene-1-carboxylate
CID 118870325
3-(2-ethoxynaphthalen-1-yl)-3-oxopropanoic acid
CID 170886868
4-chloro-1-(2-methoxynaphthalen-1-yl)butan-1-one
CID 82051001
2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carboxylic acid
CID 22685904
2-(diethylamino)-1-(2-ethoxynaphthalen-1-yl)ethanone
CID 82051032
1-ethyl-2-propoxynaphthalene
CID 129259410
2-(3-amino-3-oxopropoxy)naphthalene-1-carboxylic acid
CID 43505650
1-methylsulfanyl-2-propoxynaphthalene
CID 91657285

Frequently Asked Questions

What is the IUPAC name of 1-(2-propoxynaphthalen-1-yl)butan-1-one?
The IUPAC name of 1-(2-propoxynaphthalen-1-yl)butan-1-one (CID 82263091) is 1-(2-propoxynaphthalen-1-yl)butan-1-one.
What is the SMILES notation for 1-(2-propoxynaphthalen-1-yl)butan-1-one?
The canonical SMILES for 1-(2-propoxynaphthalen-1-yl)butan-1-one is CCCOc1ccc2ccccc2c1C(=O)CCC.
What is the InChIKey of 1-(2-propoxynaphthalen-1-yl)butan-1-one?
The InChIKey is FBGLOTDBMYZWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-7-15(18)17-14-9-6-5-8-13(14)10-11-16(17)19-12-4-2/h5-6,8-11H,3-4,7,12H2,1-2H3.
What are the key properties of 1-(2-propoxynaphthalen-1-yl)butan-1-one?
1-(2-propoxynaphthalen-1-yl)butan-1-one has a molecular weight of 256.34 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propoxynaphthalen-1-yl)butan-1-one is sourced from PubChem (CID 82263091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).