1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol

C11H13BrO3 — CID 117435002

IUPAC1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1cc(Br)c(C2(O)CC2)cc1OC
InChIInChI=1S/C11H13BrO3/c1-14-9-5-7(11(13)3-4-11)8(12)6-10(9)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyODGQIMORWIEFOW-UHFFFAOYSA-N
MW273.13 g/mol
LogP2.45
Rot. Bonds3

About 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol

1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol (PubChem CID 117435002) has the molecular formula C11H13BrO3 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
PubChem CID117435002
Molecular FormulaC11H13BrO3
Molecular Weight273.13 g/mol
Exact Mass272.00
IUPAC Name1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol
SMILESCOc1cc(Br)c(C2(O)CC2)cc1OC
InChIInChI=1S/C11H13BrO3/c1-14-9-5-7(11(13)3-4-11)8(12)6-10(9)15-2/h5-6,13H,3-4H2,1-2H3
InChIKeyODGQIMORWIEFOW-UHFFFAOYSA-N
XLogP2.45
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bromo-4,5-dimethoxyphenyl)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

1-(4-bromo-5-fluoro-2-methoxyphenyl)cyclopropan-1-ol
CID 84806667
1-(6-bromo-2,3,4-trimethoxyphenyl)cyclopropan-1-ol
CID 117487902
1-[2-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]cyclopropan-1-ol
CID 117389108
1-(2,5-dimethoxy-4-propan-2-yloxyphenyl)cyclopropan-1-ol
CID 117384091
1-(5-ethoxy-2,4-dimethoxyphenyl)cyclopropan-1-ol
CID 117349200
3-bromo-2-(1-hydroxycyclopropyl)-5,6-dimethoxyphenol
CID 117466714
5-fluoro-2-(1-hydroxycyclopropyl)-4-methoxyphenol
CID 117287689
1-(4-fluoro-5-methoxy-2-methylphenyl)cyclopropan-1-ol
CID 84773917
1-[2-(hydroxymethyl)-4,5-dimethoxyphenyl]cyclopentan-1-ol
CID 908982
5-(1-hydroxycyclopropyl)-2,4-dimethoxybenzoic acid
CID 117348722
1-(2-methoxy-4-methylphenyl)cyclopropan-1-ol
CID 117277830
1-(6-bromo-2,2-dimethyl-1,3-benzodioxol-5-yl)cyclopropan-1-ol
CID 117458875

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol?
The IUPAC name of 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol (CID 117435002) is 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol?
The canonical SMILES for 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol is COc1cc(Br)c(C2(O)CC2)cc1OC.
What is the InChIKey of 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol?
The InChIKey is ODGQIMORWIEFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrO3/c1-14-9-5-7(11(13)3-4-11)8(12)6-10(9)15-2/h5-6,13H,3-4H2,1-2H3.
What are the key properties of 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol?
1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol has a molecular weight of 273.13 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4,5-dimethoxyphenyl)cyclopropan-1-ol is sourced from PubChem (CID 117435002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).