2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol

C16H16BrFO2 — CID 65146117

IUPAC2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(18)5-8-15(12)17/h3-9,16,19H,2,10H2,1H3
InChIKeyYXVGJXCNGWUCQU-UHFFFAOYSA-N
MW339.20 g/mol
LogP4.26
Rot. Bonds5

About 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol

2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol (PubChem CID 65146117) has the molecular formula C16H16BrFO2 and a molecular weight of 339.20 g/mol. Its IUPAC name is 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
PubChem CID65146117
Molecular FormulaC16H16BrFO2
Molecular Weight339.20 g/mol
Exact Mass338.03
IUPAC Name2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol
SMILESCCOc1ccc(C(O)Cc2cc(F)ccc2Br)cc1
InChIInChI=1S/C16H16BrFO2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(18)5-8-15(12)17/h3-9,16,19H,2,10H2,1H3
InChIKeyYXVGJXCNGWUCQU-UHFFFAOYSA-N
XLogP4.26
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346759
2-(2-bromo-5-fluorophenyl)-1-(4-methylphenyl)ethanol
CID 62608724
1-(4-ethoxyphenyl)-2-(3-fluorophenyl)ethanol
CID 61099189
2-(2-bromo-5-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]ethanol
CID 65148021
(1R)-1-[4-[(2-bromo-4-fluorophenyl)methoxy]phenyl]propan-1-ol
CID 63365654
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
1-(4-bromo-3-methylphenyl)-2-(5-fluoro-2-methylphenyl)ethanol
CID 105372954
2-(2-bromo-5-fluorophenyl)-1-(5-methylfuran-2-yl)ethanol
CID 65150812
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 63017882
1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
2-(2-bromo-5-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanol
CID 105088376
2-(2-bromo-5-methoxyphenyl)-1-(4-ethoxyphenyl)ethanamine
CID 115862312

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol (CID 65146117) is 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol is CCOc1ccc(C(O)Cc2cc(F)ccc2Br)cc1.
What is the InChIKey of 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
The InChIKey is YXVGJXCNGWUCQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFO2/c1-2-20-14-6-3-11(4-7-14)16(19)10-12-9-13(18)5-8-15(12)17/h3-9,16,19H,2,10H2,1H3.
What are the key properties of 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol?
2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol has a molecular weight of 339.20 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluorophenyl)-1-(4-ethoxyphenyl)ethanol is sourced from PubChem (CID 65146117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).