(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol

C17H15F3O — CID 116505320

IUPAC(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H15F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10,17,21H,1-3H2
InChIKeyOWYQMBHIRRZHMG-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.45
Rot. Bonds3

About (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol

(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 116505320) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
PubChem CID116505320
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESOC(c1ccc(C2CCC2)cc1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C17H15F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10,17,21H,1-3H2
InChIKeyOWYQMBHIRRZHMG-UHFFFAOYSA-N
XLogP4.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

(3-chloro-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 114454040
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
(4-cyclopropylphenyl)-(3-fluoro-4-methylphenyl)methanol
CID 107128111
(3-bromo-5-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 107947823
(2-bromo-5-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836289
(3-chloro-2-fluorophenyl)-(4-cyclobutylphenyl)methanol
CID 116505775
(4-cyclohexylphenyl)-(4-iodophenyl)methanol
CID 63427013
(4-cyclobutylphenyl)-pyridazin-4-ylmethanol
CID 105129046
(4-bromo-3-chlorophenyl)-(4-cyclobutylphenyl)methanol
CID 115836272
(4-chloro-3-methylphenyl)-(4-cyclobutylphenyl)methanol
CID 115836307
(4-cyclopropylphenyl)-(2,6-difluoro-3-methylphenyl)methanol
CID 82819234
1-(4-bromo-3-fluorophenyl)-1-(4-cyclobutylphenyl)-N-methylmethanamine
CID 105044859

Frequently Asked Questions

What is the IUPAC name of (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol (CID 116505320) is (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol is OC(c1ccc(C2CCC2)cc1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is OWYQMBHIRRZHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c18-14-8-13(9-15(19)16(14)20)17(21)12-6-4-11(5-7-12)10-2-1-3-10/h4-10,17,21H,1-3H2.
What are the key properties of (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol?
(4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 292.30 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-cyclobutylphenyl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 116505320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).