1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol

C15H13BrClFO2 — CID 103053350

IUPAC1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
SMILESCOc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)12(8-11)15(19)7-9-6-10(17)2-5-14(9)18/h2-6,8,15,19H,7H2,1H3
InChIKeyGXPXSYCNEKVJSD-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol

1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol (PubChem CID 103053350) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
PubChem CID103053350
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol
SMILESCOc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2F)c1
InChIInChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)12(8-11)15(19)7-9-6-10(17)2-5-14(9)18/h2-6,8,15,19H,7H2,1H3
InChIKeyGXPXSYCNEKVJSD-UHFFFAOYSA-N
XLogP4.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)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

1-(2-bromo-5-chlorophenyl)-2-(2-bromo-5-methoxyphenyl)ethanol
CID 66157869
2-(2-bromo-5-methoxyphenyl)-1-(5-chloro-2-fluorophenyl)ethanol
CID 114853149
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethanamine
CID 105190420
[1-(2-bromo-5-methoxyphenyl)-2-(4-chloro-2-fluorophenyl)ethyl]hydrazine
CID 105342752
1-(2-bromo-5-fluorophenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802037
1-(2-bromo-5-methoxyphenyl)-2-(2,4,6-trimethylphenyl)ethanol
CID 105084143
[2-(5-bromo-2-fluorophenyl)-1-(2-bromo-5-methoxyphenyl)ethyl]hydrazine
CID 105294959
1-(2-bromo-5-methoxyphenyl)-2-(2,5-dichlorophenyl)-N-methylethanamine
CID 105151508
1-(2-bromo-5-methylphenyl)-2-(2,5-dichlorophenyl)ethanol
CID 115802065
1-(4-bromo-3-chlorophenyl)-2-(5-chloro-2-fluorophenyl)ethanol
CID 103053459
1-(2-bromo-5-methoxyphenyl)nonan-1-ol
CID 105085691

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol?
The IUPAC name of 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol (CID 103053350) is 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol?
The canonical SMILES for 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol is COc1ccc(Br)c(C(O)Cc2cc(Cl)ccc2F)c1.
What is the InChIKey of 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol?
The InChIKey is GXPXSYCNEKVJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-11-3-4-13(16)12(8-11)15(19)7-9-6-10(17)2-5-14(9)18/h2-6,8,15,19H,7H2,1H3.
What are the key properties of 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol?
1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol has a molecular weight of 359.62 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-methoxyphenyl)-2-(5-chloro-2-fluorophenyl)ethanol is sourced from PubChem (CID 103053350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).