2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane

C13H18O4 — CID 175363098

IUPAC2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane
SMILESCCCC1(Oc2cccc(OC)c2)OCCO1
InChIInChI=1S/C13H18O4/c1-3-7-13(15-8-9-16-13)17-12-6-4-5-11(10-12)14-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyRYTAQDMTMYWUAE-UHFFFAOYSA-N
MW238.28 g/mol
LogP2.57
Rot. Bonds5

About 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane

2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane (PubChem CID 175363098) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane
PubChem CID175363098
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane
SMILESCCCC1(Oc2cccc(OC)c2)OCCO1
InChIInChI=1S/C13H18O4/c1-3-7-13(15-8-9-16-13)17-12-6-4-5-11(10-12)14-2/h4-6,10H,3,7-9H2,1-2H3
InChIKeyRYTAQDMTMYWUAE-UHFFFAOYSA-N
XLogP2.57
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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carbanide;1,3-dimethoxybenzene;rubidium(1+)
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1-ethyl-3-methoxybenzene;hydrofluoride
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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane?
The IUPAC name of 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane (CID 175363098) is 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane.
What is the SMILES notation for 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane?
The canonical SMILES for 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane is CCCC1(Oc2cccc(OC)c2)OCCO1.
What is the InChIKey of 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane?
The InChIKey is RYTAQDMTMYWUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-3-7-13(15-8-9-16-13)17-12-6-4-5-11(10-12)14-2/h4-6,10H,3,7-9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane?
2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane has a molecular weight of 238.28 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenoxy)-2-propyl-1,3-dioxolane is sourced from PubChem (CID 175363098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).