5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene

C15H12Cl4O2 — CID 107306943

IUPAC5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CCl)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl4O2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3
InChIKeyUGUGPTIBSJMKLY-UHFFFAOYSA-N
MW366.07 g/mol
LogP5.97
Rot. Bonds5

About 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene

5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene (PubChem CID 107306943) has the molecular formula C15H12Cl4O2 and a molecular weight of 366.07 g/mol. Its IUPAC name is 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene.

Molecular Properties

Compound Name5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
PubChem CID107306943
Molecular FormulaC15H12Cl4O2
Molecular Weight366.07 g/mol
Exact Mass363.96
IUPAC Name5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene
SMILESCOc1cc(Cl)cc(CCl)c1OCc1cccc(Cl)c1Cl
InChIInChI=1S/C15H12Cl4O2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3
InChIKeyUGUGPTIBSJMKLY-UHFFFAOYSA-N
XLogP5.97
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.07
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(bromomethyl)-5-chloro-2-[(3-chloro-2-fluorophenyl)methoxy]-3-methoxybenzene
CID 102856415
2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]-6-methylpyridine
CID 104666335
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
2-[(5-bromo-2-fluorophenyl)methoxy]-5-chloro-1-(chloromethyl)-3-methoxybenzene
CID 104666298
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
5-(chloromethyl)-2-[(2-chlorophenyl)methoxy]-1,3-dimethoxybenzene
CID 43516801
4-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]benzonitrile
CID 104666290
5-bromo-2-[[4-chloro-2-(chloromethyl)-6-methoxyphenoxy]methyl]pyridine
CID 104799223
1-chloro-3-(chloromethyl)-2-[(2-methoxy-5-methylphenyl)methoxy]benzene
CID 115956557
5-chloro-1-(chloromethyl)-3-methoxy-2-(2,2,2-trifluoroethoxy)benzene
CID 104666188
3-[(2,3-dichlorophenyl)methoxy]-4-methoxyaniline
CID 107305414

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene?
The IUPAC name of 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene (CID 107306943) is 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene.
What is the SMILES notation for 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene?
The canonical SMILES for 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene is COc1cc(Cl)cc(CCl)c1OCc1cccc(Cl)c1Cl.
What is the InChIKey of 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene?
The InChIKey is UGUGPTIBSJMKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl4O2/c1-20-13-6-11(17)5-10(7-16)15(13)21-8-9-3-2-4-12(18)14(9)19/h2-6H,7-8H2,1H3.
What are the key properties of 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene?
5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene has a molecular weight of 366.07 g/mol, XLogP of 5.97, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(chloromethyl)-2-[(2,3-dichlorophenyl)methoxy]-3-methoxybenzene is sourced from PubChem (CID 107306943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).