2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol

C16H16BrFO3 — CID 79699012

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-20-13-3-4-16(21-2)14(9-13)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9,15,19H,7H2,1-2H3
InChIKeyBCJXMZVNVDJRPY-UHFFFAOYSA-N
MW355.20 g/mol
LogP3.88
Rot. Bonds5

About 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol (PubChem CID 79699012) has the molecular formula C16H16BrFO3 and a molecular weight of 355.20 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
PubChem CID79699012
Molecular FormulaC16H16BrFO3
Molecular Weight355.20 g/mol
Exact Mass354.03
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
SMILESCOc1ccc(OC)c(C(O)Cc2cc(F)cc(Br)c2)c1
InChIInChI=1S/C16H16BrFO3/c1-20-13-3-4-16(21-2)14(9-13)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9,15,19H,7H2,1-2H3
InChIKeyBCJXMZVNVDJRPY-UHFFFAOYSA-N
XLogP3.88
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.20
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol 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

2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
2-(3,5-difluorophenyl)-1-(2-fluoro-4-methoxyphenyl)ethanol
CID 105405786
[2-(2,5-dimethoxyphenyl)-2-hydroxyethyl]azanium
CID 23238192
1-[2-[(3-bromo-5-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82003210
2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
(1R)-1-(2,5-dimethoxyphenyl)ethane-1,2-diol
CID 51666215
1-(2,5-dimethoxyphenyl)-2-(2-methylphenyl)ethanol
CID 61100911
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
CID 115822740
2-(3-bromo-5-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanone
CID 115786701

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol (CID 79699012) is 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol is COc1ccc(OC)c(C(O)Cc2cc(F)cc(Br)c2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol?
The InChIKey is BCJXMZVNVDJRPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO3/c1-20-13-3-4-16(21-2)14(9-13)15(19)7-10-5-11(17)8-12(18)6-10/h3-6,8-9,15,19H,7H2,1-2H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol has a molecular weight of 355.20 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol is sourced from PubChem (CID 79699012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).