1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one

C13H18O4 — CID 175131746

IUPAC1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.OCC1OCCO1
InChIInChI=1S/C9H10O.C4H8O3/c1-2-9(10)8-6-4-3-5-7-8;5-3-4-6-1-2-7-4/h3-7H,2H2,1H3;4-5H,1-3H2
InChIKeyJYZFSMVDXUMIHG-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.63
Rot. Bonds3

About 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one

1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one (PubChem CID 175131746) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one.

Molecular Properties

Compound Name1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
PubChem CID175131746
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.OCC1OCCO1
InChIInChI=1S/C9H10O.C4H8O3/c1-2-9(10)8-6-4-3-5-7-8;5-3-4-6-1-2-7-4/h3-7H,2H2,1H3;4-5H,1-3H2
InChIKeyJYZFSMVDXUMIHG-UHFFFAOYSA-N
XLogP1.63
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one?
The IUPAC name of 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one (CID 175131746) is 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one.
What is the SMILES notation for 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one?
The canonical SMILES for 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one is CCC(=O)c1ccccc1.OCC1OCCO1.
What is the InChIKey of 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one?
The InChIKey is JYZFSMVDXUMIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C4H8O3/c1-2-9(10)8-6-4-3-5-7-8;5-3-4-6-1-2-7-4/h3-7H,2H2,1H3;4-5H,1-3H2.
What are the key properties of 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one?
1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one has a molecular weight of 238.28 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dioxolan-2-ylmethanol;1-phenylpropan-1-one is sourced from PubChem (CID 175131746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).