2-(3-phenylpropyl)-1,4-dioxane

C13H18O2 — CID 100963956

IUPAC2-(3-phenylpropyl)-1,4-dioxane
SMILESc1ccc(CCCC2COCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-5-12(6-3-1)7-4-8-13-11-14-9-10-15-13/h1-3,5-6,13H,4,7-11H2
InChIKeyBFXVNLPYQNLKCP-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.42
Rot. Bonds4

About 2-(3-phenylpropyl)-1,4-dioxane

2-(3-phenylpropyl)-1,4-dioxane (PubChem CID 100963956) has the molecular formula C13H18O2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 2-(3-phenylpropyl)-1,4-dioxane.

Molecular Properties

Compound Name2-(3-phenylpropyl)-1,4-dioxane
PubChem CID100963956
Molecular FormulaC13H18O2
Molecular Weight206.29 g/mol
Exact Mass206.13
IUPAC Name2-(3-phenylpropyl)-1,4-dioxane
SMILESc1ccc(CCCC2COCCO2)cc1
InChIInChI=1S/C13H18O2/c1-2-5-12(6-3-1)7-4-8-13-11-14-9-10-15-13/h1-3,5-6,13H,4,7-11H2
InChIKeyBFXVNLPYQNLKCP-UHFFFAOYSA-N
XLogP2.42
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(1,4-dioxan-2-yl)ethyl]-4-(2-phenylethyl)piperazine
CID 138806270
2-benzyl-1,4-dioxane
CID 12910406
1-[2-(1,4-dioxan-2-yl)ethyl]-4-(3-phenylpropyl)piperidine;formic acid
CID 154919917
2-(2-phenylethyl)oxetane
CID 13354102
2-(3-bromopropyl)-1,4-dioxane
CID 126971311
ethane;2-(2-phenylethyl)oxirane;propane
CID 90817072
3-(4-phenylbutyl)oxan-4-ol
CID 106471164
4-(1,4-dioxan-2-yl)butan-1-ol
CID 19815830
ethane;bis(2-ethyloxirane);3-phenylpropylbenzene
CID 159337252
2-[3-(3-methylphenyl)propyl]oxirane
CID 10931973
N-[2-(1,4-dioxan-2-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 138807106
oxan-4-yl-[(2S)-2-(3-phenylpropyl)morpholin-4-yl]methanone
CID 25292301

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenylpropyl)-1,4-dioxane?
The IUPAC name of 2-(3-phenylpropyl)-1,4-dioxane (CID 100963956) is 2-(3-phenylpropyl)-1,4-dioxane.
What is the SMILES notation for 2-(3-phenylpropyl)-1,4-dioxane?
The canonical SMILES for 2-(3-phenylpropyl)-1,4-dioxane is c1ccc(CCCC2COCCO2)cc1.
What is the InChIKey of 2-(3-phenylpropyl)-1,4-dioxane?
The InChIKey is BFXVNLPYQNLKCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-2-5-12(6-3-1)7-4-8-13-11-14-9-10-15-13/h1-3,5-6,13H,4,7-11H2.
What are the key properties of 2-(3-phenylpropyl)-1,4-dioxane?
2-(3-phenylpropyl)-1,4-dioxane has a molecular weight of 206.29 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenylpropyl)-1,4-dioxane is sourced from PubChem (CID 100963956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).