2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane

C18H28O5 — CID 83958177

IUPAC2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2OCCO2)c(OCCC)c1OCCC
InChIInChI=1S/C18H28O5/c1-4-9-19-15-8-7-14(18-22-12-13-23-18)16(20-10-5-2)17(15)21-11-6-3/h7-8,18H,4-6,9-13H2,1-3H3
InChIKeyXSXUERAUQAZKBV-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.10
Rot. Bonds10

About 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane

2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane (PubChem CID 83958177) has the molecular formula C18H28O5 and a molecular weight of 324.42 g/mol. Its IUPAC name is 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane
PubChem CID83958177
Molecular FormulaC18H28O5
Molecular Weight324.42 g/mol
Exact Mass324.19
IUPAC Name2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane
SMILESCCCOc1ccc(C2OCCO2)c(OCCC)c1OCCC
InChIInChI=1S/C18H28O5/c1-4-9-19-15-8-7-14(18-22-12-13-23-18)16(20-10-5-2)17(15)21-11-6-3/h7-8,18H,4-6,9-13H2,1-3H3
InChIKeyXSXUERAUQAZKBV-UHFFFAOYSA-N
XLogP4.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2,3-dimethyl-4-propoxyphenyl)-1,3-dioxolane
CID 83958937
2-[2-bromo-3-methoxy-4-(methoxymethoxy)phenyl]-1,3-dioxolane
CID 86225062
1-butoxy-3,4-diethoxy-2-propoxybenzene
CID 70308911
1-(2,3,4-tripropoxyphenyl)ethanone
CID 93191480
2-(4-propylnaphthalen-1-yl)-1,3-dioxolane
CID 59092303
1,2,3,4,5-pentapropoxybenzene
CID 91365553
2-(2-bromo-3-ethoxyphenyl)-1,3-dioxolane
CID 66692910
1-bromo-2,3-dipropoxybenzene
CID 91157628
2-[2-(1,3-dioxolan-2-yl)phenoxy]ethanol
CID 170873933
2-butoxy-5-(1,3-dioxan-2-yl)aniline
CID 82057123
2-(4,6-difluoro-7-propoxydibenzothiophen-3-yl)oxolane
CID 154950629
3-(2,3,4-tripropoxyphenyl)propan-1-amine
CID 95421402

Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane?
The IUPAC name of 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane (CID 83958177) is 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane.
What is the SMILES notation for 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane?
The canonical SMILES for 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane is CCCOc1ccc(C2OCCO2)c(OCCC)c1OCCC.
What is the InChIKey of 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane?
The InChIKey is XSXUERAUQAZKBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O5/c1-4-9-19-15-8-7-14(18-22-12-13-23-18)16(20-10-5-2)17(15)21-11-6-3/h7-8,18H,4-6,9-13H2,1-3H3.
What are the key properties of 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane?
2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane has a molecular weight of 324.42 g/mol, XLogP of 4.10, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-tripropoxyphenyl)-1,3-dioxolane is sourced from PubChem (CID 83958177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).