1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol

C15H13BrClFO2 — CID 65145914

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESCOc1ccc(Br)cc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13BrClFO2/c1-20-15-5-3-10(16)7-12(15)14(19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,14,19H,6H2,1H3
InChIKeyXVODAWNWNWHCCM-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.53
Rot. Bonds4

About 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol

1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol (PubChem CID 65145914) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
PubChem CID65145914
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
SMILESCOc1ccc(Br)cc1C(O)Cc1ccc(F)cc1Cl
InChIInChI=1S/C15H13BrClFO2/c1-20-15-5-3-10(16)7-12(15)14(19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,14,19H,6H2,1H3
InChIKeyXVODAWNWNWHCCM-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

2-(4-bromo-2-chlorophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 115833919
1-(5-bromo-2-methoxyphenyl)-3-(2-chloro-4-fluorophenyl)propan-2-ol
CID 63035597
1-(2-amino-3-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 107469320
1,2-bis(5-bromo-2-methoxyphenyl)ethanol
CID 63895550
2-(2-chloro-4-fluorophenyl)-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 63035615
1-(2-bromo-4-fluorophenyl)-2-(5-bromo-2-methoxyphenyl)ethanol
CID 115779284
1-(5-bromo-2-chlorophenyl)-2-(2-bromo-5-fluorophenyl)ethanol
CID 115787558
1-(4-bromophenyl)-2-(2-chloro-4-fluorophenyl)ethanol
CID 62607022
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
1-(5-bromo-2-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63894596
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
(5-bromo-2-methoxyphenyl)-(2-chloro-4-fluorophenyl)methanamine
CID 43149035

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol (CID 65145914) is 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol is COc1ccc(Br)cc1C(O)Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
The InChIKey is XVODAWNWNWHCCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-20-15-5-3-10(16)7-12(15)14(19)6-9-2-4-11(18)8-13(9)17/h2-5,7-8,14,19H,6H2,1H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol?
1-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-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-(5-bromo-2-methoxyphenyl)-2-(2-chloro-4-fluorophenyl)ethanol is sourced from PubChem (CID 65145914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).