5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol

C9H9FO4 — CID 135381377

IUPAC5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCOc1cc2c(c(F)c1O)OCCO2
InChIInChI=1S/C9H9FO4/c1-12-5-4-6-9(7(10)8(5)11)14-3-2-13-6/h4,11H,2-3H2,1H3
InChIKeyHXOXYBRYQSLEPM-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.31
Rot. Bonds1

About 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol

5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol (PubChem CID 135381377) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol.

Molecular Properties

Compound Name5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
PubChem CID135381377
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
SMILESCOc1cc2c(c(F)c1O)OCCO2
InChIInChI=1S/C9H9FO4/c1-12-5-4-6-9(7(10)8(5)11)14-3-2-13-6/h4,11H,2-3H2,1H3
InChIKeyHXOXYBRYQSLEPM-UHFFFAOYSA-N
XLogP1.31
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117329921
7-(2-aminooxyethyl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117329912
2-amino-3-(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117430623
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-2-methylprop-2-enal
CID 79330785
17,18-dimethoxy-2,5,8,11,14-pentaoxabicyclo[13.4.0]nonadeca-1(19),15,17-triene
CID 5251455
methyl 5-hydroxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate;methyl 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate
CID 160726810
7-(1-aminocyclobutyl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 117350341
(1S)-1-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)ethanamine
CID 131600341
7-(5-amino-1-methylpyrazol-3-yl)-5-fluoro-2,3-dihydro-1,4-benzodioxin-6-ol
CID 137004842
1-(5-fluoro-6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-N-methoxymethanamine
CID 117359360
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoic acid
CID 4962069
5-methoxy-N-propan-2-yl-2,3-dihydro-1,4-benzodioxine-7-carboxamide
CID 17394860

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol?
The IUPAC name of 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol (CID 135381377) is 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol.
What is the SMILES notation for 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol?
The canonical SMILES for 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol is COc1cc2c(c(F)c1O)OCCO2.
What is the InChIKey of 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol?
The InChIKey is HXOXYBRYQSLEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-12-5-4-6-9(7(10)8(5)11)14-3-2-13-6/h4,11H,2-3H2,1H3.
What are the key properties of 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol?
5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol has a molecular weight of 200.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol is sourced from PubChem (CID 135381377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).