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

C17H18BrFO2 — CID 65146068

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H18BrFO2/c1-2-9-21-15-6-3-12(4-7-15)17(20)11-13-10-14(18)5-8-16(13)19/h3-8,10,17,20H,2,9,11H2,1H3
InChIKeyIBDMBLOTRPYZBN-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.65
Rot. Bonds6

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

2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol (PubChem CID 65146068) has the molecular formula C17H18BrFO2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
PubChem CID65146068
Molecular FormulaC17H18BrFO2
Molecular Weight353.23 g/mol
Exact Mass352.05
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
SMILESCCCOc1ccc(C(O)Cc2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H18BrFO2/c1-2-9-21-15-6-3-12(4-7-15)17(20)11-13-10-14(18)5-8-16(13)19/h3-8,10,17,20H,2,9,11H2,1H3
InChIKeyIBDMBLOTRPYZBN-UHFFFAOYSA-N
XLogP4.65
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
1-(5-bromo-2-fluorophenyl)-3-propoxypropan-2-ol
CID 62607672
2-(4-bromothiophen-2-yl)-1-(4-propoxyphenyl)ethanol
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2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980726
1-(4-butoxyphenyl)-2-(4-fluorophenyl)ethanol
CID 63017882
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(5-bromo-2-fluorophenyl)-1-(2,4-dimethoxyphenyl)ethanol
CID 65150727
2-(3-bromophenyl)sulfanyl-1-(4-propoxyphenyl)ethanol
CID 66159989
1-(4-bromo-2,6-difluorophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 115784854

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol (CID 65146068) is 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol is CCCOc1ccc(C(O)Cc2cc(Br)ccc2F)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol?
The InChIKey is IBDMBLOTRPYZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO2/c1-2-9-21-15-6-3-12(4-7-15)17(20)11-13-10-14(18)5-8-16(13)19/h3-8,10,17,20H,2,9,11H2,1H3.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol has a molecular weight of 353.23 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol is sourced from PubChem (CID 65146068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).