2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane

C14H20O3 — CID 83958937

IUPAC2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2OCCO2)c(C)c1C
InChIInChI=1S/C14H20O3/c1-4-7-15-13-6-5-12(10(2)11(13)3)14-16-8-9-17-14/h5-6,14H,4,7-9H2,1-3H3
InChIKeyACEHXFLEQVICNF-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.14
Rot. Bonds4

About 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane

2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane (PubChem CID 83958937) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
PubChem CID83958937
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2OCCO2)c(C)c1C
InChIInChI=1S/C14H20O3/c1-4-7-15-13-6-5-12(10(2)11(13)3)14-16-8-9-17-14/h5-6,14H,4,7-9H2,1-3H3
InChIKeyACEHXFLEQVICNF-UHFFFAOYSA-N
XLogP3.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane
CID 83958177
2-[2-bromo-3-methoxy-4-(methoxymethoxy)phenyl]-1,3-dioxolane
CID 86225062
cyclopropyl-(2,3-dimethyl-4-propoxyphenyl)methanone
CID 82266397
2-methyl-3-propoxyaniline
CID 23134606
3-methyl-4-propoxy-1H-pyridin-2-one
CID 66739454
N-ethyl-2,3-dimethyl-4-propoxyaniline
CID 82266389
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
1,2-dichloro-3-methyl-4-propoxybenzene
CID 156723250
2-[2-(1,3-dioxolan-2-yl)phenoxy]ethanol
CID 170873933
1-(2,3-dimethyl-4-propoxyphenyl)propan-1-ol
CID 82266399
3-ethynoxy-4,6-dimethyl-7-propoxydibenzothiophene
CID 118460549
2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
CID 154950629

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane (CID 83958937) is 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane is CCCOc1ccc(C2OCCO2)c(C)c1C.
What is the InChIKey of 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane?
The InChIKey is ACEHXFLEQVICNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-4-7-15-13-6-5-12(10(2)11(13)3)14-16-8-9-17-14/h5-6,14H,4,7-9H2,1-3H3.
What are the key properties of 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane?
2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane has a molecular weight of 236.31 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83958937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).