1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol

C24H23ClF3NO2 — CID 118443468

IUPAC1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc(C(O)(c2cccnc2)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C24H23ClF3NO2/c1-15-12-18(31-24(26,27)28)8-9-19(15)16-7-10-20(21(25)13-16)23(30,22(2,3)4)17-6-5-11-29-14-17/h5-14,30H,1-4H3
InChIKeyOHYOLEOKVPBKTP-UHFFFAOYSA-N
MW449.90 g/mol
LogP6.89
Rot. Bonds4

About 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol

1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol (PubChem CID 118443468) has the molecular formula C24H23ClF3NO2 and a molecular weight of 449.90 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
PubChem CID118443468
Molecular FormulaC24H23ClF3NO2
Molecular Weight449.90 g/mol
Exact Mass449.14
IUPAC Name1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
SMILESCc1cc(OC(F)(F)F)ccc1-c1ccc(C(O)(c2cccnc2)C(C)(C)C)c(Cl)c1
InChIInChI=1S/C24H23ClF3NO2/c1-15-12-18(31-24(26,27)28)8-9-19(15)16-7-10-20(21(25)13-16)23(30,22(2,3)4)17-6-5-11-29-14-17/h5-14,30H,1-4H3
InChIKeyOHYOLEOKVPBKTP-UHFFFAOYSA-N
XLogP6.89
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.90
LogP ≤ 56.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol (CID 118443468) is 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol is Cc1cc(OC(F)(F)F)ccc1-c1ccc(C(O)(c2cccnc2)C(C)(C)C)c(Cl)c1.
What is the InChIKey of 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is OHYOLEOKVPBKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF3NO2/c1-15-12-18(31-24(26,27)28)8-9-19(15)16-7-10-20(21(25)13-16)23(30,22(2,3)4)17-6-5-11-29-14-17/h5-14,30H,1-4H3.
What are the key properties of 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 449.90 g/mol, XLogP of 6.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-methyl-4-(trifluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 118443468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).