2-(3-methoxyphenyl)-1,3-dioxolane

C10H12O3 — CID 11062994

IUPAC2-(3-methoxyphenyl)-1,3-dioxolane
SMILESCOc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H12O3/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10/h2-4,7,10H,5-6H2,1H3
InChIKeyQQLXQZVJMJHOIT-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.74
Rot. Bonds2

About 2-(3-methoxyphenyl)-1,3-dioxolane

2-(3-methoxyphenyl)-1,3-dioxolane (PubChem CID 11062994) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-1,3-dioxolane
PubChem CID11062994
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(3-methoxyphenyl)-1,3-dioxolane
SMILESCOc1cccc(C2OCCO2)c1
InChIInChI=1S/C10H12O3/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10/h2-4,7,10H,5-6H2,1H3
InChIKeyQQLXQZVJMJHOIT-UHFFFAOYSA-N
XLogP1.74
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-methoxyphenyl)-5-propan-2-yl-1,3-dioxane
CID 70895225
(2R)-2-(3-methoxyphenyl)oxirane
CID 22882163
[3-(1,3-dioxolan-2-yl)phenyl]-(4-methoxyphenyl)methanol
CID 54520451
2-[3-(4-fluorophenoxy)phenyl]-1,3-dioxolane
CID 67442762
3-(3-methoxyphenyl)oxetane
CID 130113867
4-ethenyl-2-(3-methoxyphenyl)-1,3-dioxolane
CID 89178874
1-cyclopropyl-3-methoxybenzene;methane
CID 169265234
2-(3-bromo-5-methoxyphenyl)-1,3-dioxolane
CID 138376231
carbanide;1-cyclopropyl-3-methoxybenzene;tungsten
CID 169265135
1-cyclopropyl-3-methoxybenzene;methanol
CID 70274289
tert-butyl-[3-(1,3-dioxan-2-yl)phenoxy]-dimethylsilane
CID 11358363
5-(3-methoxyphenyl)-1,3-oxazolidine
CID 82280696

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(3-methoxyphenyl)-1,3-dioxolane (CID 11062994) is 2-(3-methoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(3-methoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(3-methoxyphenyl)-1,3-dioxolane is COc1cccc(C2OCCO2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-1,3-dioxolane?
The InChIKey is QQLXQZVJMJHOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-11-9-4-2-3-8(7-9)10-12-5-6-13-10/h2-4,7,10H,5-6H2,1H3.
What are the key properties of 2-(3-methoxyphenyl)-1,3-dioxolane?
2-(3-methoxyphenyl)-1,3-dioxolane has a molecular weight of 180.20 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 11062994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).