2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol

C11H14O3 — CID 117284510

IUPAC2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
SMILESCCc1c(CCO)ccc2c1OCO2
InChIInChI=1S/C11H14O3/c1-2-9-8(5-6-12)3-4-10-11(9)14-7-13-10/h3-4,12H,2,5-7H2,1H3
InChIKeySCJCXNNWKXBAEU-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.51
Rot. Bonds3

About 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol

2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117284510) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
PubChem CID117284510
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol
SMILESCCc1c(CCO)ccc2c1OCO2
InChIInChI=1S/C11H14O3/c1-2-9-8(5-6-12)3-4-10-11(9)14-7-13-10/h3-4,12H,2,5-7H2,1H3
InChIKeySCJCXNNWKXBAEU-UHFFFAOYSA-N
XLogP1.51
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 117297595
5-(2-hydroxyethyl)-1,3-benzodioxol-4-ol
CID 117279028
2-(7-bromo-6-ethyl-1,3-benzodioxol-5-yl)ethanol
CID 117434918
4-(5-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)butanoic acid
CID 117379157
1-(4-propyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 22214795
3-(4-propan-2-yl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117318284
3-(6-ethyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propan-1-amine
CID 117343355
2-[7-(methoxymethyl)-1,3-benzodioxol-4-yl]ethanol
CID 117300085
2-[5-(methoxymethyl)-1,3-benzodioxol-4-yl]acetic acid
CID 117321473
2-(6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethanol
CID 117345190
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
4-(5-methoxy-1,3-benzodioxol-4-yl)butanoic acid
CID 117348701

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol (CID 117284510) is 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol is CCc1c(CCO)ccc2c1OCO2.
What is the InChIKey of 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is SCJCXNNWKXBAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-2-9-8(5-6-12)3-4-10-11(9)14-7-13-10/h3-4,12H,2,5-7H2,1H3.
What are the key properties of 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol?
2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 194.23 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117284510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).