[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol

C11H11NO3 — CID 11138224

IUPAC[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol
SMILESOC[C@H]1COc2ccc3[nH]ccc3c2O1
InChIInChI=1S/C11H11NO3/c13-5-7-6-14-10-2-1-9-8(3-4-12-9)11(10)15-7/h1-4,7,12-13H,5-6H2/t7-/m0/s1
InChIKeyGNCQEPJTFFKXOE-ZETCQYMHSA-N
MW205.21 g/mol
LogP1.30
Rot. Bonds1

About [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol

[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol (PubChem CID 11138224) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol
PubChem CID11138224
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol
SMILESOC[C@H]1COc2ccc3[nH]ccc3c2O1
InChIInChI=1S/C11H11NO3/c13-5-7-6-14-10-2-1-9-8(3-4-12-9)11(10)15-7/h1-4,7,12-13H,5-6H2/t7-/m0/s1
InChIKeyGNCQEPJTFFKXOE-ZETCQYMHSA-N
XLogP1.30
TPSA54.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol?
The IUPAC name of [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol (CID 11138224) is [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol.
What is the SMILES notation for [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol?
The canonical SMILES for [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol is OC[C@H]1COc2ccc3[nH]ccc3c2O1.
What is the InChIKey of [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol?
The InChIKey is GNCQEPJTFFKXOE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11NO3/c13-5-7-6-14-10-2-1-9-8(3-4-12-9)11(10)15-7/h1-4,7,12-13H,5-6H2/t7-/m0/s1.
What are the key properties of [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol?
[(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol has a molecular weight of 205.21 g/mol, XLogP of 1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-3,7-dihydro-2H-[1,4]dioxino[2,3-e]indol-2-yl]methanol is sourced from PubChem (CID 11138224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).