1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol

C17H26O4 — CID 11130179

IUPAC1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol
SMILESCCCCCCCC(O)c1c(OC)ccc2c1OCCO2
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-13(18)16-14(19-2)9-10-15-17(16)21-12-11-20-15/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyZVMYETFXNDVIEI-UHFFFAOYSA-N
MW294.39 g/mol
LogP3.86
Rot. Bonds8

About 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol

1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol (PubChem CID 11130179) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol.

Molecular Properties

Compound Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol
PubChem CID11130179
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol
SMILESCCCCCCCC(O)c1c(OC)ccc2c1OCCO2
InChIInChI=1S/C17H26O4/c1-3-4-5-6-7-8-13(18)16-14(19-2)9-10-15-17(16)21-12-11-20-15/h9-10,13,18H,3-8,11-12H2,1-2H3
InChIKeyZVMYETFXNDVIEI-UHFFFAOYSA-N
XLogP3.86
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol?
The IUPAC name of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol (CID 11130179) is 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol.
What is the SMILES notation for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol?
The canonical SMILES for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol is CCCCCCCC(O)c1c(OC)ccc2c1OCCO2.
What is the InChIKey of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol?
The InChIKey is ZVMYETFXNDVIEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-3-4-5-6-7-8-13(18)16-14(19-2)9-10-15-17(16)21-12-11-20-15/h9-10,13,18H,3-8,11-12H2,1-2H3.
What are the key properties of 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol?
1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol has a molecular weight of 294.39 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)octan-1-ol is sourced from PubChem (CID 11130179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).