1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol

C13H18O3 — CID 11746205

IUPAC1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol
SMILESCC1(C(O)CCc2ccccc2)OCCO1
InChIInChI=1S/C13H18O3/c1-13(15-9-10-16-13)12(14)8-7-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeySTCUBAUAEZTYDA-UHFFFAOYSA-N
MW222.28 g/mol
LogP1.74
Rot. Bonds4

About 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol

1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol (PubChem CID 11746205) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol
PubChem CID11746205
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol
SMILESCC1(C(O)CCc2ccccc2)OCCO1
InChIInChI=1S/C13H18O3/c1-13(15-9-10-16-13)12(14)8-7-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3
InChIKeySTCUBAUAEZTYDA-UHFFFAOYSA-N
XLogP1.74
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1,5-diphenylpentan-3-ol;hydrochloride
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3-phenyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-ol
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N-methyl-1-(2-methyloxan-2-yl)-3-phenylpropan-1-amine
CID 80684297
4-methyl-4-morpholin-4-yl-1-phenylpentan-3-ol
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CID 20647936

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol?
The IUPAC name of 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol (CID 11746205) is 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol.
What is the SMILES notation for 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol?
The canonical SMILES for 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol is CC1(C(O)CCc2ccccc2)OCCO1.
What is the InChIKey of 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol?
The InChIKey is STCUBAUAEZTYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-13(15-9-10-16-13)12(14)8-7-11-5-3-2-4-6-11/h2-6,12,14H,7-10H2,1H3.
What are the key properties of 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol?
1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol has a molecular weight of 222.28 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dioxolan-2-yl)-3-phenylpropan-1-ol is sourced from PubChem (CID 11746205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).