1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol

C14H16O4 — CID 115836405

IUPAC1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3COCCO3)cc2c1
InChIInChI=1S/C14H16O4/c1-9-2-3-11-10(6-9)7-12(18-11)14(15)13-8-16-4-5-17-13/h2-3,6-7,13-15H,4-5,8H2,1H3
InChIKeyGZVBYNHHHWXQOS-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.19
Rot. Bonds2

About 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol

1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol (PubChem CID 115836405) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol.

Molecular Properties

Compound Name1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
PubChem CID115836405
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol
SMILESCc1ccc2oc(C(O)C3COCCO3)cc2c1
InChIInChI=1S/C14H16O4/c1-9-2-3-11-10(6-9)7-12(18-11)14(15)13-8-16-4-5-17-13/h2-3,6-7,13-15H,4-5,8H2,1H3
InChIKeyGZVBYNHHHWXQOS-UHFFFAOYSA-N
XLogP2.19
TPSA51.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methyl]propan-1-amine
CID 105045384
(5-methyl-1-benzofuran-2-yl)-(oxan-4-yl)methanol
CID 114723696
(2,2-dimethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 107192952
2-bicyclo[2.2.1]heptanyl-(5-methyl-1-benzofuran-2-yl)methanol
CID 114727265
(3-ethylcyclopentyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114726702
2-hydroxy-2-(5-methyl-1-benzofuran-2-yl)acetaldehyde
CID 114724114
2-(dimethylamino)-2-methyl-1-(5-methyl-1-benzofuran-2-yl)propan-1-ol
CID 114726820
1,4-dioxan-2-yl(phenyl)methanol
CID 62803674
2-(3,5-dimethylphenyl)-1-(5-methyl-1-benzofuran-2-yl)ethanol
CID 114726442
3-methyl-1-(5-methyl-1-benzofuran-2-yl)but-2-en-1-ol
CID 105110231
(5-methyl-1-benzofuran-2-yl)-(2-methyloxolan-2-yl)methanol
CID 114727016
(2,6-dimethylphenyl)-(5-methyl-1-benzofuran-2-yl)methanol
CID 114724628

Frequently Asked Questions

What is the IUPAC name of 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The IUPAC name of 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol (CID 115836405) is 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol.
What is the SMILES notation for 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The canonical SMILES for 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol is Cc1ccc2oc(C(O)C3COCCO3)cc2c1.
What is the InChIKey of 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
The InChIKey is GZVBYNHHHWXQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-9-2-3-11-10(6-9)7-12(18-11)14(15)13-8-16-4-5-17-13/h2-3,6-7,13-15H,4-5,8H2,1H3.
What are the key properties of 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol?
1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol has a molecular weight of 248.28 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dioxan-2-yl-(5-methyl-1-benzofuran-2-yl)methanol is sourced from PubChem (CID 115836405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).