2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol

C17H18BrFO2 — CID 65146024

IUPAC2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)Cc2ccc(F)cc2Br)c1
InChIInChI=1S/C17H18BrFO2/c1-2-8-21-15-5-3-4-13(9-15)17(20)10-12-6-7-14(19)11-16(12)18/h3-7,9,11,17,20H,2,8,10H2,1H3
InChIKeyAMKUQTJBEDFHJJ-UHFFFAOYSA-N
MW353.23 g/mol
LogP4.65
Rot. Bonds6

About 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol

2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol (PubChem CID 65146024) has the molecular formula C17H18BrFO2 and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
PubChem CID65146024
Molecular FormulaC17H18BrFO2
Molecular Weight353.23 g/mol
Exact Mass352.05
IUPAC Name2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol
SMILESCCCOc1cccc(C(O)Cc2ccc(F)cc2Br)c1
InChIInChI=1S/C17H18BrFO2/c1-2-8-21-15-5-3-4-13(9-15)17(20)10-12-6-7-14(19)11-16(12)18/h3-7,9,11,17,20H,2,8,10H2,1H3
InChIKeyAMKUQTJBEDFHJJ-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

1-(3-ethoxyphenyl)-2-(4-fluoro-2-methylphenyl)ethanol
CID 114346766
2-(2-bromo-4-fluorophenyl)-1-(3,5-dimethoxyphenyl)ethanol
CID 65148243
2-(2-bromo-4-fluorophenyl)-1-(3-iodophenyl)ethanol
CID 115786724
1-(3-propoxyphenyl)pentan-1-ol
CID 65145757
2-(5-bromo-2-pyridinyl)-1-(3-propoxyphenyl)ethanol
CID 104801712
1-(3-butoxyphenyl)propan-1-ol
CID 83953800
2-(2-chloro-4-fluorophenyl)-1-(3-methoxyphenyl)ethanol
CID 62607563
2-ethoxy-1-(3-propoxyphenyl)ethanol
CID 79567661
3,3,4,4,4-pentafluoro-1-(3-propoxyphenyl)butan-1-ol
CID 156764220
(2,5-dibromophenyl)-(3-propoxyphenyl)methanol
CID 63425956
2-(2-bromo-5-fluorophenyl)-1-(3-bromophenyl)ethanol
CID 62606497
(4,5-dibromothiophen-2-yl)-(3-propoxyphenyl)methanol
CID 80535665

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol?
The IUPAC name of 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol (CID 65146024) is 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol.
What is the SMILES notation for 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol?
The canonical SMILES for 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol is CCCOc1cccc(C(O)Cc2ccc(F)cc2Br)c1.
What is the InChIKey of 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol?
The InChIKey is AMKUQTJBEDFHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO2/c1-2-8-21-15-5-3-4-13(9-15)17(20)10-12-6-7-14(19)11-16(12)18/h3-7,9,11,17,20H,2,8,10H2,1H3.
What are the key properties of 2-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol?
2-(2-bromo-4-fluorophenyl)-1-(3-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-(2-bromo-4-fluorophenyl)-1-(3-propoxyphenyl)ethanol is sourced from PubChem (CID 65146024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).