5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol

C25H20ClFN2O4 — CID 135652427

IUPAC5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
SMILESCCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O
InChIInChI=1S/C25H20ClFN2O4/c1-2-31-22-5-3-4-6-23(22)33-24-13-28-15-29-25(24)19-10-9-18(12-21(19)30)32-14-16-7-8-17(27)11-20(16)26/h3-13,15,30H,2,14H2,1H3
InChIKeySYSPOPYCANJGRP-UHFFFAOYSA-N
MW466.90 g/mol
LogP6.41
Rot. Bonds8

About 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol

5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol (PubChem CID 135652427) has the molecular formula C25H20ClFN2O4 and a molecular weight of 466.90 g/mol. Its IUPAC name is 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol.

Molecular Properties

Compound Name5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
PubChem CID135652427
Molecular FormulaC25H20ClFN2O4
Molecular Weight466.90 g/mol
Exact Mass466.11
IUPAC Name5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol
SMILESCCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O
InChIInChI=1S/C25H20ClFN2O4/c1-2-31-22-5-3-4-6-23(22)33-24-13-28-15-29-25(24)19-10-9-18(12-21(19)30)32-14-16-7-8-17(27)11-20(16)26/h3-13,15,30H,2,14H2,1H3
InChIKeySYSPOPYCANJGRP-UHFFFAOYSA-N
XLogP6.41
TPSA73.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.90
LogP ≤ 56.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

2-[2-amino-5-(2-ethoxyphenoxy)pyrimidin-4-yl]-5-ethoxyphenol
CID 2002675
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
2-[4-(2-ethoxyphenoxy)-5-methyl-1H-pyrazol-3-yl]-5-[(2-methylphenyl)methoxy]phenol
CID 135651652
2-chloro-4-fluoro-1-[(4-methoxyphenoxy)methyl]benzene
CID 112788881
2-bromo-5-[(2-chloro-4-fluorophenyl)methoxy]pyridine
CID 103695197
(1S)-1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-methoxyphenyl]ethanol
CID 82002835
2-[2-amino-5-(2-methoxyphenoxy)pyrimidin-4-yl]-5-[(2,6-dichlorophenyl)methoxy]phenol
CID 135651332
5-[(2,5-dimethylphenyl)methoxy]-2-[5-(2-methoxyphenyl)pyrimidin-4-yl]phenol
CID 135651854
2-[2-amino-5-(3,4-dimethoxyphenyl)-6-(trifluoromethyl)pyrimidin-4-yl]-5-[(2-chloro-4-fluorophenyl)methoxy]phenol
CID 135652219
5-[(2-chloro-4-fluorophenyl)methoxy]-2,3-dihydroinden-1-one
CID 107684090
5-[(2,6-dichlorophenyl)methoxy]-2-[5-(3,4-dimethoxyphenyl)pyrimidin-4-yl]phenol
CID 135651610
4-[(2-chlorophenyl)methoxy]-2-ethoxyaniline
CID 63676329

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol?
The IUPAC name of 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol (CID 135652427) is 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol.
What is the SMILES notation for 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol?
The canonical SMILES for 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol is CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O.
What is the InChIKey of 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol?
The InChIKey is SYSPOPYCANJGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN2O4/c1-2-31-22-5-3-4-6-23(22)33-24-13-28-15-29-25(24)19-10-9-18(12-21(19)30)32-14-16-7-8-17(27)11-20(16)26/h3-13,15,30H,2,14H2,1H3.
What are the key properties of 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol?
5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol has a molecular weight of 466.90 g/mol, XLogP of 6.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-fluorophenyl)methoxy]-2-[5-(2-ethoxyphenoxy)pyrimidin-4-yl]phenol is sourced from PubChem (CID 135652427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).