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

C17H16BrFO — CID 79980726

IUPAC2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16BrFO/c18-15-7-8-16(19)14(9-15)10-17(20)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17,20H,1-2,10H2
InChIKeyNEVXDLKIGBBUJK-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.74
Rot. Bonds4

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

2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (PubChem CID 79980726) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.

Molecular Properties

Compound Name2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
PubChem CID79980726
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
SMILESOC(Cc1cc(Br)ccc1F)c1ccc(C2CC2)cc1
InChIInChI=1S/C17H16BrFO/c18-15-7-8-16(19)14(9-15)10-17(20)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17,20H,1-2,10H2
InChIKeyNEVXDLKIGBBUJK-UHFFFAOYSA-N
XLogP4.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopropylphenyl)-2-(2,5-difluorophenyl)ethanol
CID 79980804
2-(5-bromo-2-fluorophenyl)-1-(3-cyclopropylphenyl)ethanol
CID 79980480
1-(4-aminophenyl)-2-(5-bromo-2-fluorophenyl)ethanol
CID 106695425
2-(4-bromophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79980174
2-(5-bromo-2-fluorophenyl)-1-(4-tert-butylphenyl)ethanol
CID 65151121
2-(3-bromo-5-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol
CID 79979846
2-(5-bromo-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanol
CID 55096088
2-(5-bromo-2-fluorophenyl)-1-(5-bromothiophen-3-yl)ethanol
CID 105086522
2-(5-bromo-2-fluorophenyl)-1-(4-chloro-3-methylphenyl)ethanol
CID 115784984
2-(5-bromo-2-fluorophenyl)-1-(4-propoxyphenyl)ethanol
CID 65146068
1-(4-cyclopropylphenyl)-2-(2,6-difluorophenyl)ethanol
CID 114931089
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-cyclopropylphenyl)ethanol?
The IUPAC name of 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol (CID 79980726) is 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol.
What is the SMILES notation for 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The canonical SMILES for 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is OC(Cc1cc(Br)ccc1F)c1ccc(C2CC2)cc1.
What is the InChIKey of 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
The InChIKey is NEVXDLKIGBBUJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-15-7-8-16(19)14(9-15)10-17(20)13-5-3-12(4-6-13)11-1-2-11/h3-9,11,17,20H,1-2,10H2.
What are the key properties of 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol?
2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol has a molecular weight of 335.22 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-fluorophenyl)-1-(4-cyclopropylphenyl)ethanol is sourced from PubChem (CID 79980726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).