3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol

C11H12Cl2O3 — CID 3064368

IUPAC3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol
SMILESOCCCC1COc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C11H12Cl2O3/c12-8-4-10-11(5-9(8)13)16-7(6-15-10)2-1-3-14/h4-5,7,14H,1-3,6H2
InChIKeyDNLXEIUNDQKPHB-UHFFFAOYSA-N
MW263.12 g/mol
LogP2.91
Rot. Bonds3

About 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol

3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol (PubChem CID 3064368) has the molecular formula C11H12Cl2O3 and a molecular weight of 263.12 g/mol. Its IUPAC name is 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol
PubChem CID3064368
Molecular FormulaC11H12Cl2O3
Molecular Weight263.12 g/mol
Exact Mass262.02
IUPAC Name3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol
SMILESOCCCC1COc2cc(Cl)c(Cl)cc2O1
InChIInChI=1S/C11H12Cl2O3/c12-8-4-10-11(5-9(8)13)16-7(6-15-10)2-1-3-14/h4-5,7,14H,1-3,6H2
InChIKeyDNLXEIUNDQKPHB-UHFFFAOYSA-N
XLogP2.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.12
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol?
The IUPAC name of 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol (CID 3064368) is 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol.
What is the SMILES notation for 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol?
The canonical SMILES for 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol is OCCCC1COc2cc(Cl)c(Cl)cc2O1.
What is the InChIKey of 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol?
The InChIKey is DNLXEIUNDQKPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O3/c12-8-4-10-11(5-9(8)13)16-7(6-15-10)2-1-3-14/h4-5,7,14H,1-3,6H2.
What are the key properties of 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol?
3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol has a molecular weight of 263.12 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dichloro-2,3-dihydro-1,4-benzodioxin-3-yl)propan-1-ol is sourced from PubChem (CID 3064368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).