1-naphthalen-1-yl-3-phenylpropan-2-one

C19H16O — CID 5314621

IUPAC1-naphthalen-1-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H16O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h1-12H,13-14H2
InChIKeyMXDDRAGYVUZIBF-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.19
Rot. Bonds4

About 1-naphthalen-1-yl-3-phenylpropan-2-one

1-naphthalen-1-yl-3-phenylpropan-2-one (PubChem CID 5314621) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 1-naphthalen-1-yl-3-phenylpropan-2-one.

Molecular Properties

Compound Name1-naphthalen-1-yl-3-phenylpropan-2-one
PubChem CID5314621
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name1-naphthalen-1-yl-3-phenylpropan-2-one
SMILESO=C(Cc1ccccc1)Cc1cccc2ccccc12
InChIInChI=1S/C19H16O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h1-12H,13-14H2
InChIKeyMXDDRAGYVUZIBF-UHFFFAOYSA-N
XLogP4.19
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-3-naphthalen-1-ylpropan-2-one
CID 63409309
1,3-diphenyl(213C)propan-2-one
CID 100945080
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-naphthalen-1-ylbutan-2-one
CID 4564544
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
2-(naphthalen-1-ylmethyl)prop-2-enoic acid
CID 10059024

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-3-phenylpropan-2-one?
The IUPAC name of 1-naphthalen-1-yl-3-phenylpropan-2-one (CID 5314621) is 1-naphthalen-1-yl-3-phenylpropan-2-one.
What is the SMILES notation for 1-naphthalen-1-yl-3-phenylpropan-2-one?
The canonical SMILES for 1-naphthalen-1-yl-3-phenylpropan-2-one is O=C(Cc1ccccc1)Cc1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-3-phenylpropan-2-one?
The InChIKey is MXDDRAGYVUZIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c20-18(13-15-7-2-1-3-8-15)14-17-11-6-10-16-9-4-5-12-19(16)17/h1-12H,13-14H2.
What are the key properties of 1-naphthalen-1-yl-3-phenylpropan-2-one?
1-naphthalen-1-yl-3-phenylpropan-2-one has a molecular weight of 260.34 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-3-phenylpropan-2-one is sourced from PubChem (CID 5314621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).