2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol

C10H11ClO4 — CID 117333233

IUPAC2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
SMILESCOc1c(CCO)cc2c(c1Cl)OCO2
InChIInChI=1S/C10H11ClO4/c1-13-9-6(2-3-12)4-7-10(8(9)11)15-5-14-7/h4,12H,2-3,5H2,1H3
InChIKeySSFJIFPLDJTFEM-UHFFFAOYSA-N
MW230.65 g/mol
LogP1.61
Rot. Bonds3

About 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol

2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol (PubChem CID 117333233) has the molecular formula C10H11ClO4 and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol.

Molecular Properties

Compound Name2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
PubChem CID117333233
Molecular FormulaC10H11ClO4
Molecular Weight230.65 g/mol
Exact Mass230.03
IUPAC Name2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
SMILESCOc1c(CCO)cc2c(c1Cl)OCO2
InChIInChI=1S/C10H11ClO4/c1-13-9-6(2-3-12)4-7-10(8(9)11)15-5-14-7/h4,12H,2-3,5H2,1H3
InChIKeySSFJIFPLDJTFEM-UHFFFAOYSA-N
XLogP1.61
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239
4-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)butanoic acid
CID 117434316
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-2,2-dimethylpropanoic acid
CID 117462277
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)acetonitrile
CID 84790456
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
3-(5-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)propanoic acid
CID 117434366
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-2-oxoacetic acid
CID 117400131
ethyl 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-2-oxoacetate
CID 117462242
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520
4-chloro-6-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671070

Frequently Asked Questions

What is the IUPAC name of 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol?
The IUPAC name of 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol (CID 117333233) is 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol.
What is the SMILES notation for 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol?
The canonical SMILES for 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol is COc1c(CCO)cc2c(c1Cl)OCO2.
What is the InChIKey of 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol?
The InChIKey is SSFJIFPLDJTFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4/c1-13-9-6(2-3-12)4-7-10(8(9)11)15-5-14-7/h4,12H,2-3,5H2,1H3.
What are the key properties of 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol?
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol has a molecular weight of 230.65 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol is sourced from PubChem (CID 117333233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).