1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

C17H18BrFO — CID 65148286

IUPAC1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyDVJOAFHDFPAZRW-UHFFFAOYSA-N
MW337.23 g/mol
LogP4.99
Rot. Bonds4

About 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol

1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (PubChem CID 65148286) has the molecular formula C17H18BrFO and a molecular weight of 337.23 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
PubChem CID65148286
Molecular FormulaC17H18BrFO
Molecular Weight337.23 g/mol
Exact Mass336.05
IUPAC Name1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
SMILESCC(C)c1ccc(CC(O)c2cc(Br)ccc2F)cc1
InChIInChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3
InChIKeyDVJOAFHDFPAZRW-UHFFFAOYSA-N
XLogP4.99
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.23
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromo-2-methylphenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788232
1-(2-bromo-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 115788296
1-(4-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 114906232
4-bromo-2-[chloro-[4-(2-methylpropyl)phenyl]methyl]-1-fluorobenzene
CID 63430619
1-(5-bromo-2-fluorophenyl)-2-chloroethanol
CID 83001576
1-(3-chloro-4-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol
CID 63414664
1-(4-bromo-2-fluorophenyl)-N-methyl-2-(4-propan-2-ylphenyl)ethanamine
CID 114906488
1-(5-bromo-2-fluorophenyl)-2-(2-chloro-4-methylphenyl)ethanol
CID 106866248
1-(5-bromo-2-fluorophenyl)-2-(5-ethyl-2-pyridinyl)ethanol
CID 79740221
2-(4-chlorophenyl)-1-(4-propan-2-ylphenyl)ethanol
CID 60797871
1-(2,5-dibromophenyl)-2-(4-propan-2-ylphenyl)ethanamine
CID 115844387
1-(5-bromo-2-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanol
CID 107894369

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol (CID 65148286) is 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is CC(C)c1ccc(CC(O)c2cc(Br)ccc2F)cc1.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
The InChIKey is DVJOAFHDFPAZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFO/c1-11(2)13-5-3-12(4-6-13)9-17(20)15-10-14(18)7-8-16(15)19/h3-8,10-11,17,20H,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol?
1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol has a molecular weight of 337.23 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-fluorophenyl)-2-(4-propan-2-ylphenyl)ethanol is sourced from PubChem (CID 65148286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).