3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol

C19H13Cl3O3 — CID 54082853

IUPAC3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)c(Oc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl3O3/c20-15-7-6-12(8-18(15)25-14-4-2-1-3-5-14)11-24-19-16(21)9-13(23)10-17(19)22/h1-10,23H,11H2
InChIKeyMOILCQNVPDWSEP-UHFFFAOYSA-N
MW395.67 g/mol
LogP6.72
Rot. Bonds5

About 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol

3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol (PubChem CID 54082853) has the molecular formula C19H13Cl3O3 and a molecular weight of 395.67 g/mol. Its IUPAC name is 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol
PubChem CID54082853
Molecular FormulaC19H13Cl3O3
Molecular Weight395.67 g/mol
Exact Mass393.99
IUPAC Name3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)c(Oc3ccccc3)c2)c(Cl)c1
InChIInChI=1S/C19H13Cl3O3/c20-15-7-6-12(8-18(15)25-14-4-2-1-3-5-14)11-24-19-16(21)9-13(23)10-17(19)22/h1-10,23H,11H2
InChIKeyMOILCQNVPDWSEP-UHFFFAOYSA-N
XLogP6.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.67
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]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

3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
1-chloro-4-(chloromethyl)-2-phenoxybenzene
CID 150965989
CID 88829366
CID 88829366
(4-chloro-3-phenylmethoxyphenyl)methanol
CID 66724752
2-chloro-5-(phenoxymethyl)benzoic acid
CID 117221772
(3,5-dichloro-4-phenylmethoxyphenyl)boronic acid
CID 4197353
2-[(4-chlorophenyl)methoxy]-1-methyl-3-phenoxybenzene
CID 54377067
2-bromo-5-[(2-chlorophenoxy)methyl]phenol
CID 117220261
3,5-dichloro-4-phenylmethoxybenzoyl chloride
CID 11255525
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
azane;1-chloro-2-phenoxybenzene
CID 68980819

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol (CID 54082853) is 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol is Oc1cc(Cl)c(OCc2ccc(Cl)c(Oc3ccccc3)c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol?
The InChIKey is MOILCQNVPDWSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl3O3/c20-15-7-6-12(8-18(15)25-14-4-2-1-3-5-14)11-24-19-16(21)9-13(23)10-17(19)22/h1-10,23H,11H2.
What are the key properties of 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol?
3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol has a molecular weight of 395.67 g/mol, XLogP of 6.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol is sourced from PubChem (CID 54082853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).