2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol

C17H15NO3 — CID 81437183

IUPAC2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H15NO3/c19-17(12-1-3-14-11(9-12)5-6-18-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-6,9-10,17-19H,7-8H2
InChIKeyOERBGFYQMTXVNQ-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.02
Rot. Bonds2

About 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol

2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol (PubChem CID 81437183) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
PubChem CID81437183
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol
SMILESOC(c1ccc2c(c1)OCCO2)c1ccc2[nH]ccc2c1
InChIInChI=1S/C17H15NO3/c19-17(12-1-3-14-11(9-12)5-6-18-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-6,9-10,17-19H,7-8H2
InChIKeyOERBGFYQMTXVNQ-UHFFFAOYSA-N
XLogP3.02
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 69205409
(7-bromo-1,3-benzodioxol-5-yl)-(1H-indol-5-yl)methanol
CID 81437182
1H-indol-5-yl-(3,4,5-trifluorophenyl)methanol
CID 81444552
4-[hydroxy(1H-indol-5-yl)methyl]benzonitrile
CID 115480990
2,3-dihydro-1,4-benzodioxin-6-yl(1H-pyrazol-4-yl)methanol
CID 114993447
(3-cyclopropylphenyl)-(1H-indol-5-yl)methanol
CID 81437598
(4-cyclopropylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 79972232
(3-bromo-4-methylphenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methanol
CID 81475614
(3-bromo-4-methoxyphenyl)-(1H-indol-5-yl)methanol
CID 81444992
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(3,5-dimethylphenyl)methanol
CID 61101261
1H-indol-5-yl-[2-(methylaminomethyl)phenyl]methanol
CID 44610017
3,4-dihydro-2H-1,5-benzodioxepin-7-yl(1H-pyrazol-4-yl)methanol
CID 114993128

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol?
The IUPAC name of 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol (CID 81437183) is 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol.
What is the SMILES notation for 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol?
The canonical SMILES for 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol is OC(c1ccc2c(c1)OCCO2)c1ccc2[nH]ccc2c1.
What is the InChIKey of 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol?
The InChIKey is OERBGFYQMTXVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-17(12-1-3-14-11(9-12)5-6-18-14)13-2-4-15-16(10-13)21-8-7-20-15/h1-6,9-10,17-19H,7-8H2.
What are the key properties of 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol?
2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol has a molecular weight of 281.31 g/mol, XLogP of 3.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-benzodioxin-6-yl(1H-indol-5-yl)methanol is sourced from PubChem (CID 81437183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).