2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone

C13H14O4 — CID 62799399

IUPAC2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1COCCO1
InChIInChI=1S/C13H14O4/c14-13(12-8-15-5-6-17-12)10-1-2-11-9(7-10)3-4-16-11/h1-2,7,12H,3-6,8H2
InChIKeyBRJIXYNLKRQQPC-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.22
Rot. Bonds2

About 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone

2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone (PubChem CID 62799399) has the molecular formula C13H14O4 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
PubChem CID62799399
Molecular FormulaC13H14O4
Molecular Weight234.25 g/mol
Exact Mass234.09
IUPAC Name2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone
SMILESO=C(c1ccc2c(c1)CCO2)C1COCCO1
InChIInChI=1S/C13H14O4/c14-13(12-8-15-5-6-17-12)10-1-2-11-9(7-10)3-4-16-11/h1-2,7,12H,3-6,8H2
InChIKeyBRJIXYNLKRQQPC-UHFFFAOYSA-N
XLogP1.22
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
2-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylic acid
CID 116918567
2,3-dihydro-1-benzofuran-5-yl(pyrrolidin-3-yl)methanone
CID 116568338
dibenzofuran-2-yl(1,4-dioxan-2-yl)methanone
CID 62799394
2,3-dihydro-1-benzofuran-5-yl(9-thiabicyclo[3.3.1]nonan-3-yl)methanone
CID 171945875
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethylpropan-1-one
CID 43160515
phenyl 2,3-dihydro-1-benzofuran-5-carboxylate
CID 2821719
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
9-azabicyclo[3.3.1]nonan-3-yl(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 171945869
2,3-dihydro-1-benzofuran-5-yl(1,2,3,4-tetrahydronaphthalen-1-yl)methanone
CID 62718081
2,3-dihydro-1-benzofuran-5-yl(thiomorpholin-3-yl)methanone
CID 116609593
1-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxy-2-methylpropan-1-one
CID 103446306

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone (CID 62799399) is 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone is O=C(c1ccc2c(c1)CCO2)C1COCCO1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone?
The InChIKey is BRJIXYNLKRQQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O4/c14-13(12-8-15-5-6-17-12)10-1-2-11-9(7-10)3-4-16-11/h1-2,7,12H,3-6,8H2.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone?
2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone has a molecular weight of 234.25 g/mol, XLogP of 1.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 62799399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).