(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol

C17H16BrFO — CID 114602324

IUPAC(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H16BrFO/c18-15-8-14(9-16(19)10-15)17(20)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2
InChIKeyATTGNCYBVBKEMR-UHFFFAOYSA-N
MW335.22 g/mol
LogP4.94
Rot. Bonds3

About (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol

(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol (PubChem CID 114602324) has the molecular formula C17H16BrFO and a molecular weight of 335.22 g/mol. Its IUPAC name is (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol.

Molecular Properties

Compound Name(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
PubChem CID114602324
Molecular FormulaC17H16BrFO
Molecular Weight335.22 g/mol
Exact Mass334.04
IUPAC Name(3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol
SMILESOC(c1cc(F)cc(Br)c1)c1cccc(C2CCC2)c1
InChIInChI=1S/C17H16BrFO/c18-15-8-14(9-16(19)10-15)17(20)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2
InChIKeyATTGNCYBVBKEMR-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

(3,5-dibromophenyl)-(3-fluorophenyl)methanol
CID 107978141
(S)-(3-bromophenyl)-(3,5-difluorophenyl)methanol
CID 94601821
(3-cyclobutylphenyl)-(5-fluoro-2-methylphenyl)methanol
CID 114602208
3-[(3-cyclobutylphenyl)-hydroxymethyl]benzonitrile
CID 114601548
(3-bromothiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 114601538
(3-cyclobutylphenyl)-(4-methoxyphenyl)methanol
CID 114601153
(3-cyclobutylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 115839118
(1R)-1-(3-cyclobutylphenyl)-2,2,2-trifluoroethanol
CID 104939857
(3-cyclobutylphenyl)-cyclopropylmethanol
CID 114601273
(5-bromo-4-methylthiophen-2-yl)-(3-cyclobutylphenyl)methanol
CID 115839009
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(3-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128110

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol?
The IUPAC name of (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol (CID 114602324) is (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol.
What is the SMILES notation for (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol?
The canonical SMILES for (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol is OC(c1cc(F)cc(Br)c1)c1cccc(C2CCC2)c1.
What is the InChIKey of (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol?
The InChIKey is ATTGNCYBVBKEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrFO/c18-15-8-14(9-16(19)10-15)17(20)13-6-2-5-12(7-13)11-3-1-4-11/h2,5-11,17,20H,1,3-4H2.
What are the key properties of (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol?
(3-bromo-5-fluorophenyl)-(3-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 (3-bromo-5-fluorophenyl)-(3-cyclobutylphenyl)methanol is sourced from PubChem (CID 114602324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).