5-(4-ethylphenoxy)-1,3-benzodioxole

C15H14O3 — CID 142013581

IUPAC5-(4-ethylphenoxy)-1,3-benzodioxole
SMILESCCc1ccc(Oc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14O3/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-9H,2,10H2,1H3
InChIKeyCLECWDMMBMRIIW-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.77
Rot. Bonds3

About 5-(4-ethylphenoxy)-1,3-benzodioxole

5-(4-ethylphenoxy)-1,3-benzodioxole (PubChem CID 142013581) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 5-(4-ethylphenoxy)-1,3-benzodioxole.

Molecular Properties

Compound Name5-(4-ethylphenoxy)-1,3-benzodioxole
PubChem CID142013581
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name5-(4-ethylphenoxy)-1,3-benzodioxole
SMILESCCc1ccc(Oc2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C15H14O3/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-9H,2,10H2,1H3
InChIKeyCLECWDMMBMRIIW-UHFFFAOYSA-N
XLogP3.77
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-(1,3-benzodioxol-5-yloxy)phenyl]methyl]cyclopropanamine
CID 43282414
5-ethyl-1,3-benzodioxole;N-methylethanamine
CID 158103316
acetylene;5-ethyl-1,3-benzodioxole;2-methylpropane
CID 142810291
N-(1,3-benzodioxol-5-ylmethyl)-1-(4-ethylphenyl)methanamine;hydrobromide
CID 75531515
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-4-ethylbenzenesulfonamide
CID 30366365
N-(1,3-benzodioxol-5-ylmethyl)-4-[4-(1,3-benzodioxol-5-ylmethylsulfamoyl)phenoxy]benzenesulfonamide
CID 171432418
4-[4-[1,3-benzodioxol-5-ylmethyl(ethyl)carbamoyl]phenoxy]benzamide
CID 56545443
2-(1,3-benzodioxol-5-yloxy)-5-(bromomethyl)pyrimidine
CID 107086399
1-(1,3-benzodioxol-5-yl)-3-(4-ethylphenyl)urea
CID 6466543
5-(2-methylpropoxy)-1,3-benzodioxole
CID 59144833
6-(1,3-benzodioxol-5-yloxy)-N,2-diethylpyrimidin-4-amine
CID 80938863
5-[2-[3-[3-methoxy-5-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]-1,3-benzodioxole
CID 172871162

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenoxy)-1,3-benzodioxole?
The IUPAC name of 5-(4-ethylphenoxy)-1,3-benzodioxole (CID 142013581) is 5-(4-ethylphenoxy)-1,3-benzodioxole.
What is the SMILES notation for 5-(4-ethylphenoxy)-1,3-benzodioxole?
The canonical SMILES for 5-(4-ethylphenoxy)-1,3-benzodioxole is CCc1ccc(Oc2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 5-(4-ethylphenoxy)-1,3-benzodioxole?
The InChIKey is CLECWDMMBMRIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-2-11-3-5-12(6-4-11)18-13-7-8-14-15(9-13)17-10-16-14/h3-9H,2,10H2,1H3.
What are the key properties of 5-(4-ethylphenoxy)-1,3-benzodioxole?
5-(4-ethylphenoxy)-1,3-benzodioxole has a molecular weight of 242.27 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenoxy)-1,3-benzodioxole is sourced from PubChem (CID 142013581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).