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

C23H22ClF2NO2 — CID 118466646

IUPAC1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1cccnc1)c1ccc(-c2ccc(OC(F)F)cc2)cc1Cl
InChIInChI=1S/C23H22ClF2NO2/c1-22(2,3)23(28,17-5-4-12-27-14-17)19-11-8-16(13-20(19)24)15-6-9-18(10-7-15)29-21(25)26/h4-14,21,28H,1-3H3
InChIKeyWEGPFLKEUMKMDK-UHFFFAOYSA-N
MW417.88 g/mol
LogP6.29
Rot. Bonds5

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

1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol (PubChem CID 118466646) has the molecular formula C23H22ClF2NO2 and a molecular weight of 417.88 g/mol. Its IUPAC name is 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
PubChem CID118466646
Molecular FormulaC23H22ClF2NO2
Molecular Weight417.88 g/mol
Exact Mass417.13
IUPAC Name1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol
SMILESCC(C)(C)C(O)(c1cccnc1)c1ccc(-c2ccc(OC(F)F)cc2)cc1Cl
InChIInChI=1S/C23H22ClF2NO2/c1-22(2,3)23(28,17-5-4-12-27-14-17)19-11-8-16(13-20(19)24)15-6-9-18(10-7-15)29-21(25)26/h4-14,21,28H,1-3H3
InChIKeyWEGPFLKEUMKMDK-UHFFFAOYSA-N
XLogP6.29
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.88
LogP ≤ 56.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[2-chloro-4-[4-(difluoromethoxy)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-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The IUPAC name of 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol (CID 118466646) is 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol is CC(C)(C)C(O)(c1cccnc1)c1ccc(-c2ccc(OC(F)F)cc2)cc1Cl.
What is the InChIKey of 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
The InChIKey is WEGPFLKEUMKMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClF2NO2/c1-22(2,3)23(28,17-5-4-12-27-14-17)19-11-8-16(13-20(19)24)15-6-9-18(10-7-15)29-21(25)26/h4-14,21,28H,1-3H3.
What are the key properties of 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol?
1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol has a molecular weight of 417.88 g/mol, XLogP of 6.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[4-(difluoromethoxy)phenyl]phenyl]-2,2-dimethyl-1-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 118466646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).