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

C11H14BrFO3 — CID 105424355

IUPAC2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1cc(Br)c(C(C)(F)CO)cc1OC
InChIInChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyBIXSDJZPGZCJGC-UHFFFAOYSA-N
MW293.13 g/mol
LogP2.64
Rot. Bonds4

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

2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol (PubChem CID 105424355) has the molecular formula C11H14BrFO3 and a molecular weight of 293.13 g/mol. Its IUPAC name is 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol.

Molecular Properties

Compound Name2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
PubChem CID105424355
Molecular FormulaC11H14BrFO3
Molecular Weight293.13 g/mol
Exact Mass292.01
IUPAC Name2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol
SMILESCOc1cc(Br)c(C(C)(F)CO)cc1OC
InChIInChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3
InChIKeyBIXSDJZPGZCJGC-UHFFFAOYSA-N
XLogP2.64
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.13
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The IUPAC name of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol (CID 105424355) is 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol.
What is the SMILES notation for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The canonical SMILES for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol is COc1cc(Br)c(C(C)(F)CO)cc1OC.
What is the InChIKey of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
The InChIKey is BIXSDJZPGZCJGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFO3/c1-11(13,6-14)7-4-9(15-2)10(16-3)5-8(7)12/h4-5,14H,6H2,1-3H3.
What are the key properties of 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol?
2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol has a molecular weight of 293.13 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4,5-dimethoxyphenyl)-2-fluoropropan-1-ol is sourced from PubChem (CID 105424355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).