2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol

C13H16O5 — CID 55120197

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1COCCO1
InChIInChI=1S/C13H16O5/c14-13(12-8-15-3-4-18-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7,12-14H,3-6,8H2
InChIKeyXOSATWIEJQYIGH-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.91
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol (PubChem CID 55120197) has the molecular formula C13H16O5 and a molecular weight of 252.27 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
PubChem CID55120197
Molecular FormulaC13H16O5
Molecular Weight252.27 g/mol
Exact Mass252.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)C1COCCO1
InChIInChI=1S/C13H16O5/c14-13(12-8-15-3-4-18-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7,12-14H,3-6,8H2
InChIKeyXOSATWIEJQYIGH-UHFFFAOYSA-N
XLogP0.91
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[bromo(1,4-dioxan-2-yl)methyl]-2,3-dihydro-1,4-benzodioxine
CID 55119859
7-[1,4-dioxan-2-yl(hydroxy)methyl]-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 104526273
(4-chlorophenyl)-(1,4-dioxan-2-yl)methanol
CID 62803673
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086940
cyclopentyl(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 61086943
bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
1,4-dioxan-2-yl(pyridin-3-yl)methanol
CID 65350860
1,3-benzodioxol-5-yl(oxan-4-yl)methanol
CID 63935647
7-[1,4-dioxan-2-yl(hydroxy)methyl]-2-methyl-4H-isoquinoline-1,3-dione
CID 63106689
3-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)propan-1-ol
CID 65184600
(1R)-2-amino-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethanol
CID 7300390

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol (CID 55120197) is 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol is OC(c1ccc2c(c1)OCCO2)C1COCCO1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol?
The InChIKey is XOSATWIEJQYIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O5/c14-13(12-8-15-3-4-18-12)9-1-2-10-11(7-9)17-6-5-16-10/h1-2,7,12-14H,3-6,8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol has a molecular weight of 252.27 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(1,4-dioxan-2-yl)methanol is sourced from PubChem (CID 55120197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).