(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol

C15H12F4O — CID 106879405

IUPAC(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(F)cc(C)c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F4O/c1-7-3-10(16)4-8(2)13(7)15(20)9-5-11(17)14(19)12(18)6-9/h3-6,15,20H,1-2H3
InChIKeyCSYSKWLKDIRCSQ-UHFFFAOYSA-N
MW284.25 g/mol
LogP3.94
Rot. Bonds2

About (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol

(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 106879405) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
PubChem CID106879405
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(F)cc(C)c1C(O)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C15H12F4O/c1-7-3-10(16)4-8(2)13(7)15(20)9-5-11(17)14(19)12(18)6-9/h3-6,15,20H,1-2H3
InChIKeyCSYSKWLKDIRCSQ-UHFFFAOYSA-N
XLogP3.94
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 53.94
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-bromo-5-methylphenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879416
(3-chloro-4-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879411
(1S)-1-(4-fluoro-2,6-dimethylphenyl)ethanol
CID 106880220
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 115484480
(3-chloro-5-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanol
CID 106880575
(2-chloro-6-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879542
(2,5-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879574
(4,5-dimethylthiophen-2-yl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879459
(2,6-dichlorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879443
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(2-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanol
CID 106879528
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol (CID 106879405) is (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol is Cc1cc(F)cc(C)c1C(O)c1cc(F)c(F)c(F)c1.
What is the InChIKey of (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is CSYSKWLKDIRCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-7-3-10(16)4-8(2)13(7)15(20)9-5-11(17)14(19)12(18)6-9/h3-6,15,20H,1-2H3.
What are the key properties of (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 284.25 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 106879405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).