1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

C15H13BrClFO2 — CID 107947341

IUPAC1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14,19H,5H2,1H3
InChIKeyLYGBNHJCGVGZCR-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol

1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (PubChem CID 107947341) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
PubChem CID107947341
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
SMILESCOc1ccc(CC(O)c2cc(Cl)cc(Br)c2)cc1F
InChIInChI=1S/C15H13BrClFO2/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14,19H,5H2,1H3
InChIKeyLYGBNHJCGVGZCR-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

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Related Compounds

1-(3-bromo-5-chlorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 107947313
1-(3-bromo-5-chlorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 107947332
1-(5-bromothiophen-3-yl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 105084452
1-(3-bromo-5-fluorophenyl)-2-(5-chloro-2-methoxyphenyl)ethanol
CID 66425619
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
1-(4-chloro-2-methoxyphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 115782250
2-(3-bromo-4-methoxyphenyl)-1-(3-chloro-5-methylphenyl)ethanol
CID 115779493
(1R)-1-(3-bromo-5-fluorophenyl)-2-(4-methoxy-3-methylphenyl)ethanol
CID 68626598
2-(3-fluoro-4-methoxyphenyl)-1-(4-methoxyphenyl)ethanol
CID 62622685
2-(3-bromo-5-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 79702145
1-(3-bromo-5-chlorophenyl)-2-methoxyethanol
CID 107947641
[(3-bromo-5-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methyl]hydrazine
CID 107948201

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The IUPAC name of 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol (CID 107947341) is 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The canonical SMILES for 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is COc1ccc(CC(O)c2cc(Cl)cc(Br)c2)cc1F.
What is the InChIKey of 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
The InChIKey is LYGBNHJCGVGZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-15-3-2-9(4-13(15)18)5-14(19)10-6-11(16)8-12(17)7-10/h2-4,6-8,14,19H,5H2,1H3.
What are the key properties of 1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol?
1-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)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-(3-bromo-5-chlorophenyl)-2-(3-fluoro-4-methoxyphenyl)ethanol is sourced from PubChem (CID 107947341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).