1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

C13H16O3 — CID 117314173

IUPAC1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESCc1c(CC2(O)CC2)cc2c(c1C)OCO2
InChIInChI=1S/C13H16O3/c1-8-9(2)12-11(15-7-16-12)5-10(8)6-13(14)3-4-13/h5,14H,3-4,6-7H2,1-2H3
InChIKeyFHESNBWIYULDCZ-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.10
Rot. Bonds2

About 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol

1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (PubChem CID 117314173) has the molecular formula C13H16O3 and a molecular weight of 220.27 g/mol. Its IUPAC name is 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
PubChem CID117314173
Molecular FormulaC13H16O3
Molecular Weight220.27 g/mol
Exact Mass220.11
IUPAC Name1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
SMILESCc1c(CC2(O)CC2)cc2c(c1C)OCO2
InChIInChI=1S/C13H16O3/c1-8-9(2)12-11(15-7-16-12)5-10(8)6-13(14)3-4-13/h5,14H,3-4,6-7H2,1-2H3
InChIKeyFHESNBWIYULDCZ-UHFFFAOYSA-N
XLogP2.10
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
1-[(7-chloro-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117363608
1-[(7-bromo-6-fluoro-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117466681
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
CID 117317884
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-one
CID 117294702
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
1-(6,7-dimethyl-1,3-benzodioxol-5-yl)propan-2-amine
CID 117296424
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
4,6-dimethyl-1,3-benzodioxol-5-ol
CID 59638998
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)ethanol
CID 117305868
2-(6-chloro-7-methyl-1,3-benzodioxol-5-yl)acetonitrile
CID 84780937
1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]cyclopropan-1-ol
CID 117354006

Frequently Asked Questions

What is the IUPAC name of 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol (CID 117314173) is 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is Cc1c(CC2(O)CC2)cc2c(c1C)OCO2.
What is the InChIKey of 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
The InChIKey is FHESNBWIYULDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O3/c1-8-9(2)12-11(15-7-16-12)5-10(8)6-13(14)3-4-13/h5,14H,3-4,6-7H2,1-2H3.
What are the key properties of 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol?
1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol has a molecular weight of 220.27 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117314173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).