(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol

C17H16BrFO — CID 115836289

IUPAC(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C17H16BrFO/c18-16-9-8-14(19)10-15(16)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2
InChIKeyDYQADXYSYJDYIY-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.94
Rot. Bonds3

About (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol

(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol (PubChem CID 115836289) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
PubChem CID115836289
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(F)ccc1Br
InChIInChI=1S/C17H16BrFO/c18-16-9-8-14(19)10-15(16)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2
InChIKeyDYQADXYSYJDYIY-UHFFFAOYSA-N
XLogP4.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.22
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-5-fluorophenyl)-(4-cyclopropylphenyl)methanol
CID 105393945
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
(4-bromo-2-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836232
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 116505320
(2-bromo-5-fluorophenyl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanol
CID 61099888
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 116505775
[(2-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methyl]hydrazine
CID 105342038
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(2-bromofuran-3-yl)-(4-cyclohexylphenyl)methanol
CID 106855338
(4-cyclobutylphenyl)-(4-fluorophenyl)methanamine
CID 116505887

Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol (CID 115836289) is (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol is OC(c1ccc(C2CCC2)cc1)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol?
The InChIKey is DYQADXYSYJDYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-16-9-8-14(19)10-15(16)17(20)13-6-4-12(5-7-13)11-2-1-3-11/h4-11,17,20H,1-3H2.
What are the key properties of (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol?
(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol has a molecular weight of 335.22 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol is sourced from PubChem (CID 115836289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).