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

C11H13FO4 — CID 117328430

IUPAC3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1cc2c(c(CCCO)c1F)OCO2
InChIInChI=1S/C11H13FO4/c1-14-8-5-9-11(16-6-15-9)7(10(8)12)3-2-4-13/h5,13H,2-4,6H2,1H3
InChIKeyAPQCZMKEFWEZOB-UHFFFAOYSA-N
MW228.22 g/mol
LogP1.49
Rot. Bonds4

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

3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (PubChem CID 117328430) has the molecular formula C11H13FO4 and a molecular weight of 228.22 g/mol. Its IUPAC name is 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
PubChem CID117328430
Molecular FormulaC11H13FO4
Molecular Weight228.22 g/mol
Exact Mass228.08
IUPAC Name3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
SMILESCOc1cc2c(c(CCCO)c1F)OCO2
InChIInChI=1S/C11H13FO4/c1-14-8-5-9-11(16-6-15-9)7(10(8)12)3-2-4-13/h5,13H,2-4,6H2,1H3
InChIKeyAPQCZMKEFWEZOB-UHFFFAOYSA-N
XLogP1.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methanol
CID 117289027
3-(6-bromo-5-fluoro-1,3-benzodioxol-4-yl)propan-1-ol
CID 117443600
3-(2-fluoro-3,5,6-trimethoxyphenyl)propan-1-ol
CID 117362411
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 71202957
2-[(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)methyl]pyrrolidine
CID 117385517
3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
3-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)propan-1-amine
CID 117326589
O-[(6-fluoro-7-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydroxylamine
CID 117329921
2-(6-methoxy-7-methyl-1,3-benzodioxol-4-yl)ethanol
CID 142077480
3-(4-fluoro-3-methoxy-5-methylphenyl)propan-1-ol
CID 117287894
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520
3-(6-methoxy-4H-1,3-benzodioxin-5-yl)propan-1-ol
CID 117321952

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The IUPAC name of 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol (CID 117328430) is 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol.
What is the SMILES notation for 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The canonical SMILES for 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is COc1cc2c(c(CCCO)c1F)OCO2.
What is the InChIKey of 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
The InChIKey is APQCZMKEFWEZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO4/c1-14-8-5-9-11(16-6-15-9)7(10(8)12)3-2-4-13/h5,13H,2-4,6H2,1H3.
What are the key properties of 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol?
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol has a molecular weight of 228.22 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol is sourced from PubChem (CID 117328430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).