1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene

C16H12Cl4O2 — CID 154157151

IUPAC1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
SMILESC=C(COc1cc(Cl)ccc1Cl)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl4O2/c1-10(8-21-15-6-11(17)2-4-13(15)19)9-22-16-7-12(18)3-5-14(16)20/h2-7H,1,8-9H2
InChIKeyTWQQBDAXLIGIRW-UHFFFAOYSA-N
MW378.08 g/mol
LogP6.31
Rot. Bonds6

About 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene

1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene (PubChem CID 154157151) has the molecular formula C16H12Cl4O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
PubChem CID154157151
Molecular FormulaC16H12Cl4O2
Molecular Weight378.08 g/mol
Exact Mass375.96
IUPAC Name1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
SMILESC=C(COc1cc(Cl)ccc1Cl)COc1cc(Cl)ccc1Cl
InChIInChI=1S/C16H12Cl4O2/c1-10(8-21-15-6-11(17)2-4-13(15)19)9-22-16-7-12(18)3-5-14(16)20/h2-7H,1,8-9H2
InChIKeyTWQQBDAXLIGIRW-UHFFFAOYSA-N
XLogP6.31
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.08
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2,4-dichlorophenoxy)methyl]prop-2-ene-1-thiol
CID 103073637
1,4-dichloro-2-(2,2-dimethylpropoxy)benzene
CID 66988103
4-bromo-1-chloro-2-(2-methylidenebutoxy)benzene
CID 66043796
2-[(2-chloro-5-methylphenoxy)methyl]prop-2-en-1-amine
CID 103066931
methyl 2-(2,5-dichlorophenoxy)ethanimidate
CID 82290476
1-(2,5-dichlorophenoxy)-3-phenylpropan-2-one
CID 62028938
4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene
CID 103065950
(2R)-1-(2,5-dichlorophenoxy)propan-2-ol
CID 106933028
4-chloro-2-(2-methylidenebutoxy)benzoic acid
CID 66046369
2-(2,5-dichlorophenoxy)-N-[2-[[2-(2,5-dichlorophenoxy)acetyl]hydrazinylidene]ethylideneamino]acetamide
CID 5222965
2-(2,5-dichlorophenoxy)-1-(2-fluorophenyl)ethanone
CID 60623205
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196

Frequently Asked Questions

What is the IUPAC name of 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene?
The IUPAC name of 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene (CID 154157151) is 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene.
What is the SMILES notation for 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene?
The canonical SMILES for 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene is C=C(COc1cc(Cl)ccc1Cl)COc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene?
The InChIKey is TWQQBDAXLIGIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4O2/c1-10(8-21-15-6-11(17)2-4-13(15)19)9-22-16-7-12(18)3-5-14(16)20/h2-7H,1,8-9H2.
What are the key properties of 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene?
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene has a molecular weight of 378.08 g/mol, XLogP of 6.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene is sourced from PubChem (CID 154157151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).