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

C13H8Cl4O2 — CID 54127176

IUPAC3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl4O2/c14-9-2-1-7(3-10(9)15)6-19-13-11(16)4-8(18)5-12(13)17/h1-5,18H,6H2
InChIKeyNRUGELUWDHERPM-UHFFFAOYSA-N
MW338.02 g/mol
LogP5.58
Rot. Bonds3

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

3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol (PubChem CID 54127176) has the molecular formula C13H8Cl4O2 and a molecular weight of 338.02 g/mol. Its IUPAC name is 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol.

Molecular Properties

Compound Name3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
PubChem CID54127176
Molecular FormulaC13H8Cl4O2
Molecular Weight338.02 g/mol
Exact Mass335.93
IUPAC Name3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
SMILESOc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1
InChIInChI=1S/C13H8Cl4O2/c14-9-2-1-7(3-10(9)15)6-19-13-11(16)4-8(18)5-12(13)17/h1-5,18H,6H2
InChIKeyNRUGELUWDHERPM-UHFFFAOYSA-N
XLogP5.58
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.02
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dichloro-4-[(4-phenylphenyl)methoxy]phenol
CID 54314779
3,5-dichloro-4-[(4-chloro-3-phenoxyphenyl)methoxy]phenol
CID 54082853
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
1,2-dichloro-4-(hydroperoxymethyl)benzene
CID 166873402
(NZ)-N-[[4-[(3,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylidene]hydroxylamine
CID 91689806
5-[3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91683263
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233
[2-[(3,4-dichlorophenyl)methoxy]-3,4-dimethylphenyl]methanol
CID 97179315
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
7-[(3,4-dichlorophenyl)methoxy]naphthalen-2-ol
CID 43326484
2-[(3,4-dichlorophenyl)methoxy]-5-methylphenol
CID 82051885
[3,5-dichloro-4-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 893259

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol?
The IUPAC name of 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol (CID 54127176) is 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol.
What is the SMILES notation for 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol?
The canonical SMILES for 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol is Oc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol?
The InChIKey is NRUGELUWDHERPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl4O2/c14-9-2-1-7(3-10(9)15)6-19-13-11(16)4-8(18)5-12(13)17/h1-5,18H,6H2.
What are the key properties of 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol?
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol has a molecular weight of 338.02 g/mol, XLogP of 5.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol is sourced from PubChem (CID 54127176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).