(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol

C15H12ClF3O — CID 115484480

IUPAC(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)c(F)c(F)c2)cc1C
InChIInChI=1S/C15H12ClF3O/c1-7-3-10(11(16)4-8(7)2)15(20)9-5-12(17)14(19)13(18)6-9/h3-6,15,20H,1-2H3
InChIKeyWNBVGSQAFMTCQW-UHFFFAOYSA-N
MW300.71 g/mol
LogP4.46
Rot. Bonds2

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

(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol (PubChem CID 115484480) has the molecular formula C15H12ClF3O and a molecular weight of 300.71 g/mol. Its IUPAC name is (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol.

Molecular Properties

Compound Name(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
PubChem CID115484480
Molecular FormulaC15H12ClF3O
Molecular Weight300.71 g/mol
Exact Mass300.05
IUPAC Name(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
SMILESCc1cc(Cl)c(C(O)c2cc(F)c(F)c(F)c2)cc1C
InChIInChI=1S/C15H12ClF3O/c1-7-3-10(11(16)4-8(7)2)15(20)9-5-12(17)14(19)13(18)6-9/h3-6,15,20H,1-2H3
InChIKeyWNBVGSQAFMTCQW-UHFFFAOYSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 54.46
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

(2-chloro-4,5-dimethylphenyl)-(4-fluoro-3-methylphenyl)methanol
CID 115484419
(3-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484421
(2-chloro-4,5-dimethylphenyl)-(2,3-difluorophenyl)methanol
CID 115484592
(3-bromo-4-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 107955735
(2-chloro-4,5-dimethylphenyl)-(4-iodophenyl)methanol
CID 113319557
(2-fluoro-5-methylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 62790310
(2-chloro-4,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanol
CID 115484494
(4-fluoro-2,6-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol
CID 106879405
(2,5-dimethylthiophen-3-yl)-(3,4,5-trifluorophenyl)methanol
CID 63186629
(2-bromo-5-fluorophenyl)-(2-chloro-4,5-dimethylphenyl)methanol
CID 115484503
(2-chloro-4-fluoro-5-methylphenyl)-(2-fluorophenyl)methanol
CID 81045704
(3,5-difluorophenyl)-(2,4,5-trimethylphenyl)methanol
CID 64990191

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The IUPAC name of (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol (CID 115484480) is (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol.
What is the SMILES notation for (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The canonical SMILES for (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol is Cc1cc(Cl)c(C(O)c2cc(F)c(F)c(F)c2)cc1C.
What is the InChIKey of (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
The InChIKey is WNBVGSQAFMTCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClF3O/c1-7-3-10(11(16)4-8(7)2)15(20)9-5-12(17)14(19)13(18)6-9/h3-6,15,20H,1-2H3.
What are the key properties of (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol?
(2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol has a molecular weight of 300.71 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,5-dimethylphenyl)-(3,4,5-trifluorophenyl)methanol is sourced from PubChem (CID 115484480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).