1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol

C14H20BrFO2 — CID 116712395

IUPAC1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFO2/c1-4-18-14(9(2)3)13(17)7-10-5-6-11(16)8-12(10)15/h5-6,8-9,13-14,17H,4,7H2,1-3H3
InChIKeyOXULLEKKMJGYQO-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.55
Rot. Bonds6

About 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol

1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol (PubChem CID 116712395) has the molecular formula C14H20BrFO2 and a molecular weight of 319.21 g/mol. Its IUPAC name is 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
PubChem CID116712395
Molecular FormulaC14H20BrFO2
Molecular Weight319.21 g/mol
Exact Mass318.06
IUPAC Name1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol
SMILESCCOC(C(C)C)C(O)Cc1ccc(F)cc1Br
InChIInChI=1S/C14H20BrFO2/c1-4-18-14(9(2)3)13(17)7-10-5-6-11(16)8-12(10)15/h5-6,8-9,13-14,17H,4,7H2,1-3H3
InChIKeyOXULLEKKMJGYQO-UHFFFAOYSA-N
XLogP3.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-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-(2-bromo-4-fluorophenyl)-3-ethoxy-4,4-dimethylpentan-2-ol
CID 116713553
3-(2-bromo-4-fluorophenyl)-1,1-diethoxypropan-2-amine
CID 79496447
1-(2-bromo-4-fluorophenyl)-3-ethoxybutan-2-one
CID 64540053
1-(2-bromo-4-fluorophenyl)-3,3-dimethylbutan-2-ol
CID 62605952
3-ethoxy-1-(4-fluoro-2-methylphenyl)butan-2-ol
CID 114347450
1-(2-bromo-4-fluorophenyl)-3-ethoxypentan-2-one
CID 116707531
1-(3-bromo-4-methoxyphenyl)-3-ethoxy-4-methylpentan-2-ol
CID 116712337
1-(2-bromo-4-fluorophenyl)-N-ethyl-3-methylbutan-2-amine
CID 62600953
1-(2-bromo-4-fluorophenyl)-3-(2,4-difluorophenyl)propan-2-ol
CID 64561385
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
3-ethoxy-N-ethyl-1-(4-fluoro-2-methylphenyl)-4-methylpentan-2-amine
CID 114348360
3-(2-bromo-4-fluorophenyl)-1-cyclopropyl-1-ethoxy-N-methylpropan-2-amine
CID 116723316

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol?
The IUPAC name of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol (CID 116712395) is 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol.
What is the SMILES notation for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol?
The canonical SMILES for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol is CCOC(C(C)C)C(O)Cc1ccc(F)cc1Br.
What is the InChIKey of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol?
The InChIKey is OXULLEKKMJGYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFO2/c1-4-18-14(9(2)3)13(17)7-10-5-6-11(16)8-12(10)15/h5-6,8-9,13-14,17H,4,7H2,1-3H3.
What are the key properties of 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol?
1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol has a molecular weight of 319.21 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-fluorophenyl)-3-ethoxy-4-methylpentan-2-ol is sourced from PubChem (CID 116712395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).