1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol

C12H14O4 — CID 117317884

IUPAC1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c2c(c1)OCO2
InChIInChI=1S/C12H14O4/c1-14-9-4-8(6-12(13)2-3-12)11-10(5-9)15-7-16-11/h4-5,13H,2-3,6-7H2,1H3
InChIKeyMBLDPYXFYFUURZ-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.49
Rot. Bonds3

About 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol

1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol (PubChem CID 117317884) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
PubChem CID117317884
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol
SMILESCOc1cc(CC2(O)CC2)c2c(c1)OCO2
InChIInChI=1S/C12H14O4/c1-14-9-4-8(6-12(13)2-3-12)11-10(5-9)15-7-16-11/h4-5,13H,2-3,6-7H2,1H3
InChIKeyMBLDPYXFYFUURZ-UHFFFAOYSA-N
XLogP1.49
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6,7-dimethyl-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117314173
1-[(4-methoxy-1,3-benzodioxol-5-yl)methyl]cyclopropan-1-ol
CID 117317889
1-[(3,5-dimethoxyphenyl)methyl]cyclopropan-1-ol
CID 117297692
4-(isocyanatomethyl)-6-methoxy-1,3-benzodioxole
CID 117295438
4-fluoro-6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117324891
4-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]piperidine
CID 117376581
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-[(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-ol
CID 117429804
6-[(1-hydroxycyclopropyl)methyl]-1,3-benzodioxol-5-ol
CID 117297255
1-(6-methoxy-1,3-benzodioxol-4-yl)-2-(methylamino)ethanol
CID 117323117
1-[[2-(difluoromethyl)-5-methoxyphenyl]methyl]cyclopropan-1-ol
CID 117328612

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol?
The IUPAC name of 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol (CID 117317884) is 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol?
The canonical SMILES for 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol is COc1cc(CC2(O)CC2)c2c(c1)OCO2.
What is the InChIKey of 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol?
The InChIKey is MBLDPYXFYFUURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-14-9-4-8(6-12(13)2-3-12)11-10(5-9)15-7-16-11/h4-5,13H,2-3,6-7H2,1H3.
What are the key properties of 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol?
1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methoxy-1,3-benzodioxol-4-yl)methyl]cyclopropan-1-ol is sourced from PubChem (CID 117317884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).