3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol

C13H16O3 — CID 62736373

IUPAC3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
SMILESOC1CCCCc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H16O3/c14-11-4-2-1-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,1-6H2
InChIKeyLGKYBISADCUZFB-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.22
Rot. Bonds

About 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol

3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol (PubChem CID 62736373) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol.

Molecular Properties

Compound Name3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
PubChem CID62736373
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol
SMILESOC1CCCCc2cc3c(cc21)OCCO3
InChIInChI=1S/C13H16O3/c14-11-4-2-1-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,1-6H2
InChIKeyLGKYBISADCUZFB-UHFFFAOYSA-N
XLogP2.22
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol with MolForge

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Related Compounds

(6S)-2,3,4,6,7,8,9,10-octahydro-1H-cyclohepta[b]naphthalen-6-ol
CID 115483216
2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxine
CID 794240
N-methyl-2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-amine
CID 62735808
(9S)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinolin-9-ol
CID 977765
3,6,7,8-tetrahydro-2H-furo[2,3-g]chromen-3-ol
CID 130572441
(6R)-1,1,4,4-tetramethyl-3,6,7,8,9,10-hexahydro-2H-cyclohepta[b]naphthalen-6-ol
CID 104889645
3,6,7,8,9,10-hexahydro-2H-[1,4]dioxino[2,3-h][2]benzazepine;hydrochloride
CID 75366040
6-(oxan-3-yl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline
CID 107137740
(4S)-7-iodo-3,4-dihydro-2H-chromen-4-ol
CID 130741729
(5R)-5,6,7,8,9,10-hexahydrobenzo[8]annulen-5-ol
CID 130614926
3-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ol
CID 62736189
N-(2,3,6,7,8,9-hexahydrobenzo[g][1,4]benzodioxin-6-yl)pyridine-4-carboxamide
CID 110399944

Frequently Asked Questions

What is the IUPAC name of 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol?
The IUPAC name of 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol (CID 62736373) is 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol.
What is the SMILES notation for 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol?
The canonical SMILES for 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol is OC1CCCCc2cc3c(cc21)OCCO3.
What is the InChIKey of 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol?
The InChIKey is LGKYBISADCUZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c14-11-4-2-1-3-9-7-12-13(8-10(9)11)16-6-5-15-12/h7-8,11,14H,1-6H2.
What are the key properties of 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol?
3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol has a molecular weight of 220.27 g/mol, XLogP of 2.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7,8,9,10-hexahydro-2H-cyclohepta[g][1,4]benzodioxin-6-ol is sourced from PubChem (CID 62736373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).