1-naphthalen-1-yl-3-phenoxypropan-1-one

C19H16O2 — CID 62717239

IUPAC1-naphthalen-1-yl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c20-19(13-14-21-16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2
InChIKeyAHXYAZWOZDYFHR-UHFFFAOYSA-N
MW276.34 g/mol
LogP4.49
Rot. Bonds5

About 1-naphthalen-1-yl-3-phenoxypropan-1-one

1-naphthalen-1-yl-3-phenoxypropan-1-one (PubChem CID 62717239) has the molecular formula C19H16O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-phenoxypropan-1-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-phenoxypropan-1-one
PubChem CID62717239
Molecular FormulaC19H16O2
Molecular Weight276.34 g/mol
Exact Mass276.12
IUPAC Name1-naphthalen-1-yl-3-phenoxypropan-1-one
SMILESO=C(CCOc1ccccc1)c1cccc2ccccc12
InChIInChI=1S/C19H16O2/c20-19(13-14-21-16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2
InChIKeyAHXYAZWOZDYFHR-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-phenoxypropan-1-one
CID 61029805
3-phenoxypropyl naphthalene-1-carboxylate
CID 71029614
3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
1-naphthalen-1-yl-4-[2-[2-(4-naphthalen-1-yl-4-oxobutoxy)ethoxy]ethoxy]butan-1-one
CID 157326026
1-naphthalen-1-yl-3-phenylpropan-1-one
CID 20764678
4-ethoxy-1-naphthalen-1-ylbutan-1-one
CID 105094445
1-(4-methoxyphenyl)-4-naphthalen-1-ylbutane-1,4-dione
CID 14529191
4-methyl-1-naphthalen-1-ylpent-4-en-1-one
CID 114473529
manganese;3-phenoxypropanoic acid;zirconium
CID 175105332
3-hydroxy-3-(2-naphthalen-1-yl-2-oxoethyl)-1-(2-phenoxyethyl)indol-2-one
CID 17131923
1-phenoxyhexan-3-one
CID 60797707
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-phenoxypropan-1-one?
The IUPAC name of 1-naphthalen-1-yl-3-phenoxypropan-1-one (CID 62717239) is 1-naphthalen-1-yl-3-phenoxypropan-1-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-phenoxypropan-1-one?
The canonical SMILES for 1-naphthalen-1-yl-3-phenoxypropan-1-one is O=C(CCOc1ccccc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-phenoxypropan-1-one?
The InChIKey is AHXYAZWOZDYFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c20-19(13-14-21-16-9-2-1-3-10-16)18-12-6-8-15-7-4-5-11-17(15)18/h1-12H,13-14H2.
What are the key properties of 1-naphthalen-1-yl-3-phenoxypropan-1-one?
1-naphthalen-1-yl-3-phenoxypropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-phenoxypropan-1-one is sourced from PubChem (CID 62717239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).