(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol

C13H15BrO3 — CID 115417852

IUPAC(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
SMILESCC1CC[C@@H](O)c2c3c(cc(Br)c21)OCCO3
InChIInChI=1S/C13H15BrO3/c1-7-2-3-9(15)12-11(7)8(14)6-10-13(12)17-5-4-16-10/h6-7,9,15H,2-5H2,1H3/t7?,9-/m1/s1
InChIKeyBYKILZQFTKFUQE-NHSZFOGYSA-N
MW299.16 g/mol
LogP3.15
Rot. Bonds

About (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol

(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol (PubChem CID 115417852) has the molecular formula C13H15BrO3 and a molecular weight of 299.16 g/mol. Its IUPAC name is (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol.

Molecular Properties

Compound Name(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
PubChem CID115417852
Molecular FormulaC13H15BrO3
Molecular Weight299.16 g/mol
Exact Mass298.02
IUPAC Name(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol
SMILESCC1CC[C@@H](O)c2c3c(cc(Br)c21)OCCO3
InChIInChI=1S/C13H15BrO3/c1-7-2-3-9(15)12-11(7)8(14)6-10-13(12)17-5-4-16-10/h6-7,9,15H,2-5H2,1H3/t7?,9-/m1/s1
InChIKeyBYKILZQFTKFUQE-NHSZFOGYSA-N
XLogP3.15
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol with MolForge

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Related Compounds

6-bromo-N-ethyl-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417591
7-bromo-N-ethyl-8-methyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417486
7-bromo-8-methyl-N-propyl-3,4,8,9,10,11-hexahydro-2H-benzo[i][1,5]benzodioxepin-11-amine
CID 115417484
(4R)-5-bromo-7,8-difluoro-3,4-dihydro-2H-chromen-4-ol
CID 107102402
6-chloro-N,7-dimethyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-amine
CID 115417500
(1S)-7-bromo-5,8-difluoro-4-methyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 115417907
(4S)-5-bromo-8-methyl-3,4-dihydro-2H-chromen-4-ol
CID 107287207
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)ethanone
CID 131177273
(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methanol
CID 43143963
1-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-cyclopentylethanol
CID 65149646
[2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)oxolan-3-yl]methanol
CID 79364602
2-(8-bromo-6-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidine
CID 117497077

Frequently Asked Questions

What is the IUPAC name of (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol?
The IUPAC name of (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol (CID 115417852) is (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol.
What is the SMILES notation for (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol?
The canonical SMILES for (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol is CC1CC[C@@H](O)c2c3c(cc(Br)c21)OCCO3.
What is the InChIKey of (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol?
The InChIKey is BYKILZQFTKFUQE-NHSZFOGYSA-N. The full InChI is InChI=1S/C13H15BrO3/c1-7-2-3-9(15)12-11(7)8(14)6-10-13(12)17-5-4-16-10/h6-7,9,15H,2-5H2,1H3/t7?,9-/m1/s1.
What are the key properties of (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol?
(10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol has a molecular weight of 299.16 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-6-bromo-7-methyl-2,3,7,8,9,10-hexahydrobenzo[h][1,4]benzodioxin-10-ol is sourced from PubChem (CID 115417852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).