1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one

C16H16O3 — CID 103543638

IUPAC1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc2ccccc12)CC1OCCO1
InChIInChI=1S/C16H16O3/c17-14(11-16-18-8-9-19-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,16H,8-11H2
InChIKeyVANNIYXOBKSVBT-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.71
Rot. Bonds4

About 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one

1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one (PubChem CID 103543638) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one
PubChem CID103543638
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Name1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one
SMILESO=C(Cc1cccc2ccccc12)CC1OCCO1
InChIInChI=1S/C16H16O3/c17-14(11-16-18-8-9-19-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,16H,8-11H2
InChIKeyVANNIYXOBKSVBT-UHFFFAOYSA-N
XLogP2.71
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
1-hydroxy-3-naphthalen-1-ylpropan-2-one
CID 57239921
1-naphthalen-1-ylbutan-2-one
CID 4564544
1-(1,1-dioxothiolan-3-yl)-3-naphthalen-1-ylpropan-2-one
CID 105087928
1-naphthalen-1-yl-3-phenylpropan-2-one
CID 5314621
N-cyclopropyl-2-naphthalen-1-ylacetamide
CID 976036
1-naphthalen-1-ylpentane-2,4-dione
CID 54264117
tetrakis(2-naphthalen-1-ylacetic acid);samarium
CID 175232376
1-(2-methylcyclopropyl)-2-naphthalen-1-ylethanone
CID 61055472
3-methyl-1-naphthalen-1-ylbutan-2-one
CID 12922161
4,4-dimethyl-1-naphthalen-1-ylpentan-2-one
CID 61055866
potassium;2-naphthalen-1-ylacetic acid;hydroxide
CID 174974988

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one (CID 103543638) is 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one is O=C(Cc1cccc2ccccc12)CC1OCCO1.
What is the InChIKey of 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one?
The InChIKey is VANNIYXOBKSVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c17-14(11-16-18-8-9-19-16)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-7,16H,8-11H2.
What are the key properties of 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one?
1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one has a molecular weight of 256.30 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-yl)-3-naphthalen-1-ylpropan-2-one is sourced from PubChem (CID 103543638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).