1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol

C12H13BrO3 — CID 117458875

IUPAC1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCC1(C)Oc2cc(Br)c(C3(O)CC3)cc2O1
InChIInChI=1S/C12H13BrO3/c1-11(2)15-9-5-7(12(14)3-4-12)8(13)6-10(9)16-11/h5-6,14H,3-4H2,1-2H3
InChIKeyTWHZDMMIFPTLMP-UHFFFAOYSA-N
MW285.14 g/mol
LogP2.94
Rot. Bonds1

About 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol

1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol (PubChem CID 117458875) has the molecular formula C12H13BrO3 and a molecular weight of 285.14 g/mol. Its IUPAC name is 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
PubChem CID117458875
Molecular FormulaC12H13BrO3
Molecular Weight285.14 g/mol
Exact Mass284.00
IUPAC Name1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
SMILESCC1(C)Oc2cc(Br)c(C3(O)CC3)cc2O1
InChIInChI=1S/C12H13BrO3/c1-11(2)15-9-5-7(12(14)3-4-12)8(13)6-10(9)16-11/h5-6,14H,3-4H2,1-2H3
InChIKeyTWHZDMMIFPTLMP-UHFFFAOYSA-N
XLogP2.94
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropyl]ethanamine
CID 117497114
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
CID 117435002
1-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclopentane]-5-yl)cyclopropan-1-ol
CID 117420668
1-(2,4-dibromophenyl)cyclopropan-1-ol
CID 107957829
1-(6-chloro-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropane-1-carboxylic acid
CID 117425116
5-bromo-6-(isocyanatomethyl)-2,2-dimethyl-1,3-benzodioxole
CID 117456670
1-(7-ethyl-2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropan-1-ol
CID 117314324
1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)-2-methylpropan-2-amine
CID 117483588
2-(6-bromo-1,3-benzodioxol-5-yl)-2-methylpyrrolidine
CID 117456976
1-(6-bromospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)ethanone
CID 117454818
1-(6-bromo-5-methoxy-1,3-benzodioxol-4-yl)cyclopropan-1-ol
CID 117462721
1-(6-bromo-3,3-dimethyl-2,4-dihydro-1,5-benzodioxepin-8-yl)cyclopropan-1-ol
CID 117498212

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The IUPAC name of 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol (CID 117458875) is 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol.
What is the SMILES notation for 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The canonical SMILES for 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol is CC1(C)Oc2cc(Br)c(C3(O)CC3)cc2O1.
What is the InChIKey of 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
The InChIKey is TWHZDMMIFPTLMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrO3/c1-11(2)15-9-5-7(12(14)3-4-12)8(13)6-10(9)16-11/h5-6,14H,3-4H2,1-2H3.
What are the key properties of 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol?
1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol has a molecular weight of 285.14 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol is sourced from PubChem (CID 117458875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).