3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol

C22H19Cl2FO3 — CID 68532630

IUPAC3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1Cc1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FO3/c1-27-13-28-22-7-4-15(10-19-20(23)11-18(26)12-21(19)24)9-16(22)8-14-2-5-17(25)6-3-14/h2-7,9,11-12,26H,8,10,13H2,1H3
InChIKeyXJHATXZNCZBQPZ-UHFFFAOYSA-N
MW421.30 g/mol
LogP6.00
Rot. Bonds7

About 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol

3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol (PubChem CID 68532630) has the molecular formula C22H19Cl2FO3 and a molecular weight of 421.30 g/mol. Its IUPAC name is 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
PubChem CID68532630
Molecular FormulaC22H19Cl2FO3
Molecular Weight421.30 g/mol
Exact Mass420.07
IUPAC Name3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol
SMILESCOCOc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1Cc1ccc(F)cc1
InChIInChI=1S/C22H19Cl2FO3/c1-27-13-28-22-7-4-15(10-19-20(23)11-18(26)12-21(19)24)9-16(22)8-14-2-5-17(25)6-3-14/h2-7,9,11-12,26H,8,10,13H2,1H3
InChIKeyXJHATXZNCZBQPZ-UHFFFAOYSA-N
XLogP6.00
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.30
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol 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 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The IUPAC name of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol (CID 68532630) is 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol.
What is the SMILES notation for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The canonical SMILES for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol is COCOc1ccc(Cc2c(Cl)cc(O)cc2Cl)cc1Cc1ccc(F)cc1.
What is the InChIKey of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
The InChIKey is XJHATXZNCZBQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FO3/c1-27-13-28-22-7-4-15(10-19-20(23)11-18(26)12-21(19)24)9-16(22)8-14-2-5-17(25)6-3-14/h2-7,9,11-12,26H,8,10,13H2,1H3.
What are the key properties of 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol?
3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol has a molecular weight of 421.30 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[[3-[(4-fluorophenyl)methyl]-4-(methoxymethoxy)phenyl]methyl]phenol is sourced from PubChem (CID 68532630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).