1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene

C14H9Cl5O — CID 63536214

IUPAC1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
SMILESClCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl5O/c15-6-9-4-10(16)5-13(19)14(9)20-7-8-1-2-11(17)12(18)3-8/h1-5H,6-7H2
InChIKeyOQTGASULBMJLBE-UHFFFAOYSA-N
MW370.49 g/mol
LogP6.62
Rot. Bonds4

About 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene

1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene (PubChem CID 63536214) has the molecular formula C14H9Cl5O and a molecular weight of 370.49 g/mol. Its IUPAC name is 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene.

Molecular Properties

Compound Name1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
PubChem CID63536214
Molecular FormulaC14H9Cl5O
Molecular Weight370.49 g/mol
Exact Mass367.91
IUPAC Name1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
SMILESClCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H9Cl5O/c15-6-9-4-10(16)5-13(19)14(9)20-7-8-1-2-11(17)12(18)3-8/h1-5H,6-7H2
InChIKeyOQTGASULBMJLBE-UHFFFAOYSA-N
XLogP6.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.49
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]benzonitrile
CID 43516336
3,5-dichloro-4-[(3,4-dichlorophenyl)methoxy]phenol
CID 54127176
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
5-bromo-2-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]pyridine
CID 104799100
1,2-dichloro-4-[[4-(chloromethyl)phenoxy]methyl]benzene
CID 22280207
1-[3,5-dichloro-2-[(3-chlorophenyl)methoxy]phenyl]-N-methylmethanamine
CID 63499190
5-chloro-1-(chloromethyl)-2-[(3,4-dimethylphenyl)methoxy]-3-methoxybenzene
CID 104666195
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
3-bromo-5-chloro-4-[(3,4-dichlorophenyl)methoxy]benzaldehyde
CID 21211233

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene?
The IUPAC name of 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene (CID 63536214) is 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene.
What is the SMILES notation for 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene?
The canonical SMILES for 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene is ClCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene?
The InChIKey is OQTGASULBMJLBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl5O/c15-6-9-4-10(16)5-13(19)14(9)20-7-8-1-2-11(17)12(18)3-8/h1-5H,6-7H2.
What are the key properties of 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene?
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene has a molecular weight of 370.49 g/mol, XLogP of 6.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene is sourced from PubChem (CID 63536214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).