1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one

C18H24O3 — CID 12051063

IUPAC1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one
SMILESO=C(C1CCCCC1)C(CC1OCCO1)c1ccccc1
InChIInChI=1S/C18H24O3/c19-18(15-9-5-2-6-10-15)16(13-17-20-11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyIIORWVGGQYYNJM-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.68
Rot. Bonds5

About 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one

1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one (PubChem CID 12051063) has the molecular formula C18H24O3 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one.

Molecular Properties

Compound Name1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one
PubChem CID12051063
Molecular FormulaC18H24O3
Molecular Weight288.39 g/mol
Exact Mass288.17
IUPAC Name1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one
SMILESO=C(C1CCCCC1)C(CC1OCCO1)c1ccccc1
InChIInChI=1S/C18H24O3/c19-18(15-9-5-2-6-10-15)16(13-17-20-11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2
InChIKeyIIORWVGGQYYNJM-UHFFFAOYSA-N
XLogP3.68
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one?
The IUPAC name of 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one (CID 12051063) is 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one.
What is the SMILES notation for 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one?
The canonical SMILES for 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one is O=C(C1CCCCC1)C(CC1OCCO1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one?
The InChIKey is IIORWVGGQYYNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O3/c19-18(15-9-5-2-6-10-15)16(13-17-20-11-12-21-17)14-7-3-1-4-8-14/h1,3-4,7-8,15-17H,2,5-6,9-13H2.
What are the key properties of 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one?
1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one has a molecular weight of 288.39 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(1,3-dioxolan-2-yl)-2-phenylpropan-1-one is sourced from PubChem (CID 12051063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).