(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol

C9H9FO4 — CID 117289027

IUPAC(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
SMILESCOc1cc2c(c(CO)c1F)OCO2
InChIInChI=1S/C9H9FO4/c1-12-6-2-7-9(14-4-13-7)5(3-11)8(6)10/h2,11H,3-4H2,1H3
InChIKeyYQNXJMGXYHACJB-UHFFFAOYSA-N
MW200.16 g/mol
LogP1.06
Rot. Bonds2

About (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol

(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol (PubChem CID 117289027) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol.

Molecular Properties

Compound Name(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
PubChem CID117289027
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
SMILESCOc1cc2c(c(CO)c1F)OCO2
InChIInChI=1S/C9H9FO4/c1-12-6-2-7-9(14-4-13-7)5(3-11)8(6)10/h2,11H,3-4H2,1H3
InChIKeyYQNXJMGXYHACJB-UHFFFAOYSA-N
XLogP1.06
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol 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

3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
6-fluoro-7-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 117280329
2-[(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methyl]pyrrolidine
CID 117385517
O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117329921
2-amino-3-(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)propanoic acid
CID 117430623
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443600
[2-fluoro-4-[[(7-methoxy-1,3-benzodioxol-5-yl)methylamino]methyl]phenyl]methanol
CID 47627014
6-chloro-4-(hydroxymethyl)-1,3-benzodioxol-5-ol
CID 84671071
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239
4-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)-1H-pyrazol-5-amine
CID 117380453
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
5-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-6-ol
CID 135381377

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol?
The IUPAC name of (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol (CID 117289027) is (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol.
What is the SMILES notation for (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol?
The canonical SMILES for (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol is COc1cc2c(c(CO)c1F)OCO2.
What is the InChIKey of (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol?
The InChIKey is YQNXJMGXYHACJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c1-12-6-2-7-9(14-4-13-7)5(3-11)8(6)10/h2,11H,3-4H2,1H3.
What are the key properties of (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol?
(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol has a molecular weight of 200.16 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol is sourced from PubChem (CID 117289027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).