2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol

C11H14O4 — CID 117300099

IUPAC2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
SMILESCOc1cc2c(cc1CCO)OCOC2
InChIInChI=1S/C11H14O4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-12/h4-5,12H,2-3,6-7H2,1H3
InChIKeyYPJWJSCEPIFQKW-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.10
Rot. Bonds3

About 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol

2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol (PubChem CID 117300099) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol.

Molecular Properties

Compound Name2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
PubChem CID117300099
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol
SMILESCOc1cc2c(cc1CCO)OCOC2
InChIInChI=1S/C11H14O4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-12/h4-5,12H,2-3,6-7H2,1H3
InChIKeyYPJWJSCEPIFQKW-UHFFFAOYSA-N
XLogP1.10
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

O-[2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethyl]hydroxylamine
CID 117323140
1-(6-methoxy-4H-1,3-benzodioxin-7-yl)propan-2-ol
CID 117321804
3-(6-methoxy-4H-1,3-benzodioxin-7-yl)-2-methylpropanoic acid
CID 117383604
2-(5-methoxy-1,3-benzoxathiol-6-yl)ethanol
CID 117303089
3-[(6-methoxy-4H-1,3-benzodioxin-7-yl)methyl]piperidine
CID 117413191
3-amino-3-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385437
3-amino-2-(6-methoxy-4H-1,3-benzodioxin-7-yl)propanoic acid
CID 117385454
(6-methoxy-3,4-dihydro-2H-chromen-7-yl)methanol
CID 10241724
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
3-(6-methoxy-2,3-dihydro-1H-inden-5-yl)propan-1-ol
CID 117294969
3-(6-methoxy-3,4-dihydro-2H-chromen-7-yl)-N,N-dimethylpropan-1-amine
CID 170865622

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol?
The IUPAC name of 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol (CID 117300099) is 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol.
What is the SMILES notation for 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol?
The canonical SMILES for 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol is COc1cc2c(cc1CCO)OCOC2.
What is the InChIKey of 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol?
The InChIKey is YPJWJSCEPIFQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-13-10-5-9-6-14-7-15-11(9)4-8(10)2-3-12/h4-5,12H,2-3,6-7H2,1H3.
What are the key properties of 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol?
2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol has a molecular weight of 210.23 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxy-4H-1,3-benzodioxin-7-yl)ethanol is sourced from PubChem (CID 117300099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).