2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol

C12H16O4 — CID 170242933

IUPAC2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
SMILESCC(C)c1cc2c(cc1OCCO)OCO2
InChIInChI=1S/C12H16O4/c1-8(2)9-5-11-12(16-7-15-11)6-10(9)14-4-3-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyZKJAWJCEGHTWTJ-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.91
Rot. Bonds4

About 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol

2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol (PubChem CID 170242933) has the molecular formula C12H16O4 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol.

Molecular Properties

Compound Name2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
PubChem CID170242933
Molecular FormulaC12H16O4
Molecular Weight224.26 g/mol
Exact Mass224.10
IUPAC Name2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol
SMILESCC(C)c1cc2c(cc1OCCO)OCO2
InChIInChI=1S/C12H16O4/c1-8(2)9-5-11-12(16-7-15-11)6-10(9)14-4-3-13/h5-6,8,13H,3-4,7H2,1-2H3
InChIKeyZKJAWJCEGHTWTJ-UHFFFAOYSA-N
XLogP1.91
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol with MolForge

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Related Compounds

(2R)-4,4-dimethyl-1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pentan-2-ol
CID 162744154
1-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]pent-4-en-2-ol
CID 162744144
2-[2,4-di(propan-2-yl)phenoxy]ethanol
CID 166451717
(2S)-2-amino-2-(6-ethoxy-1,3-benzodioxol-5-yl)acetic acid
CID 66510751
(1R)-1-(6-ethoxy-1,3-benzodioxol-5-yl)ethane-1,2-diamine
CID 66517333
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 55011970
2-[[6-[2-[2-[2-[2-[[7-[2-(2-propoxyethoxy)ethoxy]-2,3-dihydro-1,4-benzodioxin-6-yl]oxy]ethoxy]ethoxy]ethoxy]ethoxy]-2,3-dihydro-1,4-benzodioxin-7-yl]oxy]ethanol
CID 126515156
5-ethoxy-6-[(1S)-1-(4-methoxyphenyl)ethyl]-1,3-benzodioxole
CID 679971
2-(6-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 105424279
6-(5-hydroxypentoxy)-1,3-benzodioxole-5-carbaldehyde
CID 62228686
2-methyl-3-(6-propan-2-yl-1,3-benzodioxol-5-yl)propanoic acid
CID 117378866
2-oxo-2-(6-propan-2-yl-1,3-benzodioxol-5-yl)acetic acid
CID 117344317

Frequently Asked Questions

What is the IUPAC name of 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol?
The IUPAC name of 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol (CID 170242933) is 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol.
What is the SMILES notation for 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol?
The canonical SMILES for 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol is CC(C)c1cc2c(cc1OCCO)OCO2.
What is the InChIKey of 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol?
The InChIKey is ZKJAWJCEGHTWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O4/c1-8(2)9-5-11-12(16-7-15-11)6-10(9)14-4-3-13/h5-6,8,13H,3-4,7H2,1-2H3.
What are the key properties of 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol?
2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol has a molecular weight of 224.26 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-propan-2-yl-1,3-benzodioxol-5-yl)oxy]ethanol is sourced from PubChem (CID 170242933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).