2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol

C17H16O4 — CID 105125287

IUPAC2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cccc2c1OCCO2
InChIInChI=1S/C17H16O4/c18-16(12-4-5-14-11(10-12)6-7-19-14)13-2-1-3-15-17(13)21-9-8-20-15/h1-5,10,16,18H,6-9H2
InChIKeyFSYGSXVMJKRGOS-UHFFFAOYSA-N
MW284.31 g/mol
LogP2.47
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol

2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol (PubChem CID 105125287) has the molecular formula C17H16O4 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
PubChem CID105125287
Molecular FormulaC17H16O4
Molecular Weight284.31 g/mol
Exact Mass284.10
IUPAC Name2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol
SMILESOC(c1ccc2c(c1)CCO2)c1cccc2c1OCCO2
InChIInChI=1S/C17H16O4/c18-16(12-4-5-14-11(10-12)6-7-19-14)13-2-1-3-15-17(13)21-9-8-20-15/h1-5,10,16,18H,6-9H2
InChIKeyFSYGSXVMJKRGOS-UHFFFAOYSA-N
XLogP2.47
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1,4-benzodioxin-5-yl-(3,4-dimethylphenyl)methanol
CID 105091733
(3,5-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methanol
CID 105093322
2,3-dihydro-1-benzofuran-7-yl(2,3-dihydro-1H-inden-5-yl)methanol
CID 115838905
2,3-dihydro-1-benzofuran-5-yl-(3-methylphenyl)methanol
CID 61100251
2,3-dihydro-1-benzofuran-5-yl-(2,6-dimethylphenyl)methanol
CID 104542171
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxyphenyl)methanol
CID 61100079
2,3-dihydro-1-benzofuran-5-yl(2,3-dihydro-1-benzofuran-7-yl)methanamine
CID 105053322
(5-chloro-2-fluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100761
3,4-dihydro-2H-chromen-6-yl-(2-methylphenyl)methanol
CID 61080777
(3,4-difluorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100595
(3,5-dichlorophenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanol
CID 61100429
2-amino-1-(2,3-dihydro-1-benzofuran-5-yl)-2-methylpropan-1-ol
CID 66039061

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol (CID 105125287) is 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol is OC(c1ccc2c(c1)CCO2)c1cccc2c1OCCO2.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol?
The InChIKey is FSYGSXVMJKRGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O4/c18-16(12-4-5-14-11(10-12)6-7-19-14)13-2-1-3-15-17(13)21-9-8-20-15/h1-5,10,16,18H,6-9H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol?
2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol has a molecular weight of 284.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-5-yl(2,3-dihydro-1-benzofuran-5-yl)methanol is sourced from PubChem (CID 105125287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).