2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol

C18H20BrFO — CID 115822740

IUPAC2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)16-7-5-4-6-15(16)17(21)10-12-8-13(19)11-14(20)9-12/h4-9,11,17,21H,10H2,1-3H3
InChIKeyRHLNTMPRWKZXMV-UHFFFAOYSA-N
MW351.26 g/mol
LogP5.16
Rot. Bonds3

About 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol

2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol (PubChem CID 115822740) has the molecular formula C18H20BrFO and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
PubChem CID115822740
Molecular FormulaC18H20BrFO
Molecular Weight351.26 g/mol
Exact Mass350.07
IUPAC Name2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol
SMILESCC(C)(C)c1ccccc1C(O)Cc1cc(F)cc(Br)c1
InChIInChI=1S/C18H20BrFO/c1-18(2,3)16-7-5-4-6-15(16)17(21)10-12-8-13(19)11-14(20)9-12/h4-9,11,17,21H,10H2,1-3H3
InChIKeyRHLNTMPRWKZXMV-UHFFFAOYSA-N
XLogP5.16
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.26
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3-bromo-5-fluorophenyl)-1-(2-fluoro-3-methylphenyl)ethanol
CID 115822786
1-(3-bromo-2-chlorophenyl)-2-(3-bromo-5-fluorophenyl)ethanol
CID 115822735
2-(3-bromo-5-fluorophenyl)-1-(2-chloro-3-methylphenyl)ethanol
CID 115822817
2-(3-bromo-5-fluorophenyl)-1-(2-methylfuran-3-yl)ethanol
CID 113453302
2-(2-bromophenyl)-1-(2-tert-butylphenyl)ethanol
CID 114977195
2-(3-bromo-5-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 79702447
2-(3-bromo-5-fluorophenyl)-1-(5-fluoro-2-methylphenyl)ethanol
CID 79702038
1-(2-tert-butylphenyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103043527
2-(3-bromo-5-fluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-5-yl)ethanol
CID 105115570
2-(3-bromo-5-fluorophenyl)-1-(2,5-dimethoxyphenyl)ethanol
CID 79699012
2-(3-bromo-5-fluorophenyl)-1-(3,5-difluorophenyl)ethanol
CID 79703067
2-amino-1-(2-tert-butylphenyl)ethanol
CID 18627964

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol?
The IUPAC name of 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol (CID 115822740) is 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol.
What is the SMILES notation for 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol?
The canonical SMILES for 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol is CC(C)(C)c1ccccc1C(O)Cc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol?
The InChIKey is RHLNTMPRWKZXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20BrFO/c1-18(2,3)16-7-5-4-6-15(16)17(21)10-12-8-13(19)11-14(20)9-12/h4-9,11,17,21H,10H2,1-3H3.
What are the key properties of 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol?
2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol has a molecular weight of 351.26 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenyl)-1-(2-tert-butylphenyl)ethanol is sourced from PubChem (CID 115822740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).