[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol

C23H22F3NO2 — CID 101076289

IUPAC[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO2/c1-27(2)18-12-8-16(9-13-18)22(28,17-10-14-19(29-3)15-11-17)20-6-4-5-7-21(20)23(24,25)26/h4-15,28H,1-3H3
InChIKeyXXXRDDFKJHJGFA-UHFFFAOYSA-N
MW401.43 g/mol
LogP5.06
Rot. Bonds5

About [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol

[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 101076289) has the molecular formula C23H22F3NO2 and a molecular weight of 401.43 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
PubChem CID101076289
Molecular FormulaC23H22F3NO2
Molecular Weight401.43 g/mol
Exact Mass401.16
IUPAC Name[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol
SMILESCOc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccccc2C(F)(F)F)cc1
InChIInChI=1S/C23H22F3NO2/c1-27(2)18-12-8-16(9-13-18)22(28,17-10-14-19(29-3)15-11-17)20-6-4-5-7-21(20)23(24,25)26/h4-15,28H,1-3H3
InChIKeyXXXRDDFKJHJGFA-UHFFFAOYSA-N
XLogP5.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.43
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(2-propan-2-ylphenyl)methanol
CID 101076280
(2,4-dimethoxyphenyl)-[4-(dimethylamino)phenyl]-phenylmethanol
CID 101076305
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-(4-propan-2-ylphenyl)methanol
CID 101076282
(3,5-diethylphenyl)-[4-(dimethylamino)phenyl]-(4-methoxyphenyl)methanol
CID 101076301
4-[hydroxy-(2-methoxyphenyl)-(4-methoxyphenyl)methyl]phenol
CID 156785971
bis(4-methoxyphenyl)-naphthalen-2-ylmethanol
CID 23069554
2,2-bis[4-(dimethylamino)phenyl]-2-(4-methoxyphenyl)acetonitrile
CID 100984975
4-N,4-N-bis(4-methoxyphenyl)-1-N,1-N-dimethylbenzene-1,4-diamine
CID 70476118
N,N-dimethyl-4-(trifluoromethyl)aniline
CID 6432341
1-(2-chlorophenyl)-1-(4-methoxyphenyl)ethanol
CID 60794949
[4-(dimethylamino)-3,5-diethylphenyl]-(4-methoxyphenyl)-phenylmethanol
CID 15883905
bis[4-(dimethylamino)phenyl]-(9-ethylcarbazol-1-yl)methanol;methoxymethane
CID 70415000

Frequently Asked Questions

What is the IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol (CID 101076289) is [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol is COc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccccc2C(F)(F)F)cc1.
What is the InChIKey of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is XXXRDDFKJHJGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO2/c1-27(2)18-12-8-16(9-13-18)22(28,17-10-14-19(29-3)15-11-17)20-6-4-5-7-21(20)23(24,25)26/h4-15,28H,1-3H3.
What are the key properties of [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol?
[4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 401.43 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(dimethylamino)phenyl]-(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 101076289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).