1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol

C11H11BrO4 — CID 117462721

IUPAC1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
SMILESCOc1c(Br)cc2c(c1C1(O)CC1)OCO2
InChIInChI=1S/C11H11BrO4/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4,13H,2-3,5H2,1H3
InChIKeyHIZVXQKRLWCVGH-UHFFFAOYSA-N
MW287.11 g/mol
LogP2.17
Rot. Bonds2

About 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol

1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol (PubChem CID 117462721) has the molecular formula C11H11BrO4 and a molecular weight of 287.11 g/mol. Its IUPAC name is 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
PubChem CID117462721
Molecular FormulaC11H11BrO4
Molecular Weight287.11 g/mol
Exact Mass285.98
IUPAC Name1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
SMILESCOc1c(Br)cc2c(c1C1(O)CC1)OCO2
InChIInChI=1S/C11H11BrO4/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4,13H,2-3,5H2,1H3
InChIKeyHIZVXQKRLWCVGH-UHFFFAOYSA-N
XLogP2.17
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.11
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclobutyl]methanamine
CID 117499180
1-(7-chloro-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)cyclopropan-1-ol
CID 117395016
1-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117324895
5,7-dibromo-4-methoxy-1,3-benzodioxole
CID 23272203
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)propan-2-one
CID 117462772
1-(6-fluoro-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-amine
CID 84789967
1-[(7-bromo-6-methoxy-2,3-dihydro-1,4-benzodioxin-5-yl)methyl]cyclopropan-1-amine
CID 117499282
1-(7-bromo-6-methoxy-1,3-benzodioxol-5-yl)ethanone
CID 84713456
5-bromo-7-chloro-4-methoxy-1,3-benzodioxole
CID 23272201
methyl 6-bromo-4-methyl-1,3-benzodioxole-5-carboxylate
CID 68791362
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol (CID 117462721) is 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol is COc1c(Br)cc2c(c1C1(O)CC1)OCO2.
What is the InChIKey of 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
The InChIKey is HIZVXQKRLWCVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrO4/c1-14-9-6(12)4-7-10(16-5-15-7)8(9)11(13)2-3-11/h4,13H,2-3,5H2,1H3.
What are the key properties of 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol?
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol has a molecular weight of 287.11 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol is sourced from PubChem (CID 117462721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).