3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol

C12H16O5 — CID 71202957

IUPAC3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCOc1c(CCCO)cc2c(c1OC)OCO2
InChIInChI=1S/C12H16O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h6,13H,3-5,7H2,1-2H3
InChIKeyJNSBJCYCYJLQLD-UHFFFAOYSA-N
MW240.25 g/mol
LogP1.36
Rot. Bonds5

About 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol

3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol (PubChem CID 71202957) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
PubChem CID71202957
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol
SMILESCOc1c(CCCO)cc2c(c1OC)OCO2
InChIInChI=1S/C12H16O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h6,13H,3-5,7H2,1-2H3
InChIKeyJNSBJCYCYJLQLD-UHFFFAOYSA-N
XLogP1.36
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(6,7-dimethoxy-1,3-benzodioxol-5-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

3-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)propan-1-ol
CID 117363636
2-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)ethanol
CID 117333233
3-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)propan-1-ol
CID 117329520
4,5-dimethoxy-6-methyl-1,3-benzodioxole
CID 59720306
4-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)butanoic acid
CID 117434316
3-(5-fluoro-6-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117328430
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propyl 2-chloro-5-methylbenzoate
CID 71202907
3-[6-(2-hydroxyethyl)-1,3-benzodioxol-5-yl]propan-1-ol
CID 91665287
(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)methanol
CID 84682239
2-(7-methoxy-6-methyl-1,3-benzodioxol-5-yl)-N-methylethanamine
CID 45097791
3-(6,7-dimethyl-1,3-benzodioxol-4-yl)propan-1-ol
CID 117297652
4,5-dimethoxy-6-prop-1-enyl-1,3-benzodioxole
CID 53397162

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol?
The IUPAC name of 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol (CID 71202957) is 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol.
What is the SMILES notation for 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol?
The canonical SMILES for 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol is COc1c(CCCO)cc2c(c1OC)OCO2.
What is the InChIKey of 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol?
The InChIKey is JNSBJCYCYJLQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-14-10-8(4-3-5-13)6-9-11(12(10)15-2)17-7-16-9/h6,13H,3-5,7H2,1-2H3.
What are the key properties of 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol?
3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol has a molecular weight of 240.25 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)propan-1-ol is sourced from PubChem (CID 71202957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).