1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene

C15H9Cl5O2 — CID 21466190

IUPAC1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
SMILESClC(Cl)=CCOc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H9Cl5O2/c16-9-5-10(17)7-12(6-9)22-11-1-2-14(13(18)8-11)21-4-3-15(19)20/h1-3,5-8H,4H2
InChIKeyBINLLCRJWATJHO-UHFFFAOYSA-N
MW398.50 g/mol
LogP7.14
Rot. Bonds5

About 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene

1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene (PubChem CID 21466190) has the molecular formula C15H9Cl5O2 and a molecular weight of 398.50 g/mol. Its IUPAC name is 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene.

Molecular Properties

Compound Name1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
PubChem CID21466190
Molecular FormulaC15H9Cl5O2
Molecular Weight398.50 g/mol
Exact Mass395.90
IUPAC Name1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
SMILESClC(Cl)=CCOc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1Cl
InChIInChI=1S/C15H9Cl5O2/c16-9-5-10(17)7-12(6-9)22-11-1-2-14(13(18)8-11)21-4-3-15(19)20/h1-3,5-8H,4H2
InChIKeyBINLLCRJWATJHO-UHFFFAOYSA-N
XLogP7.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.50
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 23203507
1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
CID 21466188
2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenol
CID 11346738
2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]-4,5-bis(trifluoromethyl)pyridine
CID 21466193
1-(3,3-dichloroprop-2-enoxy)-4-(4-propan-2-yloxyphenoxy)-2-(trifluoromethyl)benzene
CID 21466330
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
1,4-dichloro-2-(4-chlorophenoxy)-5-(3,3-dibromoprop-2-enoxy)benzene
CID 21466428
2-chloro-1-[4-(3,3-dibromoprop-2-enoxy)-3-propan-2-ylphenoxy]-4-ethoxybenzene
CID 21466555
1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
2-bromo-1-(3,3-dichloroprop-2-enoxy)-4-[4-(3,3-dichloroprop-2-enoxy)phenyl]sulfanylbenzene
CID 21466215
1,3-dichloro-5-(4-chlorophenoxy)-2-(3,3-dibromoprop-2-enoxy)benzene
CID 139662682
2-[2-[2-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]ethoxy]-3-(trifluoromethyl)pyridine
CID 142242953

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene?
The IUPAC name of 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene (CID 21466190) is 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene.
What is the SMILES notation for 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene?
The canonical SMILES for 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene is ClC(Cl)=CCOc1ccc(Oc2cc(Cl)cc(Cl)c2)cc1Cl.
What is the InChIKey of 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene?
The InChIKey is BINLLCRJWATJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl5O2/c16-9-5-10(17)7-12(6-9)22-11-1-2-14(13(18)8-11)21-4-3-15(19)20/h1-3,5-8H,4H2.
What are the key properties of 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene?
1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene has a molecular weight of 398.50 g/mol, XLogP of 7.14, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene is sourced from PubChem (CID 21466190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).