6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol

C11H12O4 — CID 117297255

IUPAC6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1CC1(O)CC1)OCO2
InChIInChI=1S/C11H12O4/c12-8-4-10-9(14-6-15-10)3-7(8)5-11(13)1-2-11/h3-4,12-13H,1-2,5-6H2
InChIKeyLERUPUKPWMRLKL-UHFFFAOYSA-N
MW208.21 g/mol
LogP1.19
Rot. Bonds2

About 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol

6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol (PubChem CID 117297255) has the molecular formula C11H12O4 and a molecular weight of 208.21 g/mol. Its IUPAC name is 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
PubChem CID117297255
Molecular FormulaC11H12O4
Molecular Weight208.21 g/mol
Exact Mass208.07
IUPAC Name6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1CC1(O)CC1)OCO2
InChIInChI=1S/C11H12O4/c12-8-4-10-9(14-6-15-10)3-7(8)5-11(13)1-2-11/h3-4,12-13H,1-2,5-6H2
InChIKeyLERUPUKPWMRLKL-UHFFFAOYSA-N
XLogP1.19
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.21
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopropan-1-ol
CID 117354006
6-[[(1-ethylcyclopropyl)methylamino]methyl]-1,3-benzodioxol-5-ol
CID 113251456
2,4-dihydroxy-5-[(1-hydroxycyclopropyl)methyl]benzoic acid
CID 117321380
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
6-[[[1-(hydroxymethyl)cyclobutyl]amino]methyl]-1,3-benzodioxol-5-ol
CID 115733393

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The IUPAC name of 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol (CID 117297255) is 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol is Oc1cc2c(cc1CC1(O)CC1)OCO2.
What is the InChIKey of 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
The InChIKey is LERUPUKPWMRLKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O4/c12-8-4-10-9(14-6-15-10)3-7(8)5-11(13)1-2-11/h3-4,12-13H,1-2,5-6H2.
What are the key properties of 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol?
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol has a molecular weight of 208.21 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol is sourced from PubChem (CID 117297255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).