1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene

C22H14Cl6O3 — CID 23203507

IUPAC1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)c(Cl)c1
InChIInChI=1S/C22H14Cl6O3/c23-14-7-15(24)9-18(8-14)31-16-3-1-2-13(6-16)12-30-22-19(25)10-17(11-20(22)26)29-5-4-21(27)28/h1-4,6-11H,5,12H2
InChIKeyASFPKHUAHDPPND-UHFFFAOYSA-N
MW539.07 g/mol
LogP9.37
Rot. Bonds8

About 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene

1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene (PubChem CID 23203507) has the molecular formula C22H14Cl6O3 and a molecular weight of 539.07 g/mol. Its IUPAC name is 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
PubChem CID23203507
Molecular FormulaC22H14Cl6O3
Molecular Weight539.07 g/mol
Exact Mass535.91
IUPAC Name1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
SMILESClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)c(Cl)c1
InChIInChI=1S/C22H14Cl6O3/c23-14-7-15(24)9-18(8-14)31-16-3-1-2-13(6-16)12-30-22-19(25)10-17(11-20(22)26)29-5-4-21(27)28/h1-4,6-11H,5,12H2
InChIKeyASFPKHUAHDPPND-UHFFFAOYSA-N
XLogP9.37
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.07
LogP ≤ 59.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dichloro-2-[[3-(3,4-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54496675
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-phenylmethoxybenzene
CID 54079745
(E)-1-[3-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-phenylmethoxymethanimine
CID 18430188
1,3-dichloro-5-[3-chloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]benzene
CID 21466190
1,3-dichloro-2-[(2-chlorophenyl)methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54133005
4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]benzaldehyde
CID 18429639
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-(3-phenoxypropoxy)benzene
CID 54077529
1,3-dichloro-2-(3,3-dichloroprop-2-enoxy)-5-(3,5-difluorophenoxy)benzene
CID 21466188
1,3-dichloro-2-[3-(4-chlorophenoxy)propoxy]-5-(3,3-dichloroprop-2-enoxy)benzene
CID 54295507
1,3-dichloro-5-(3,3-dichloroprop-2-enoxy)-2-methoxybenzene
CID 18725396
(E)-1-[4-[[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]methyl]phenyl]-N-propan-2-yloxymethanimine
CID 18429789
5-[2,6-dichloro-4-(3,3-dichloroprop-2-enoxy)phenoxy]pentan-1-amine
CID 22006786

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The IUPAC name of 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene (CID 23203507) is 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene.
What is the SMILES notation for 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The canonical SMILES for 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene is ClC(Cl)=CCOc1cc(Cl)c(OCc2cccc(Oc3cc(Cl)cc(Cl)c3)c2)c(Cl)c1.
What is the InChIKey of 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
The InChIKey is ASFPKHUAHDPPND-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14Cl6O3/c23-14-7-15(24)9-18(8-14)31-16-3-1-2-13(6-16)12-30-22-19(25)10-17(11-20(22)26)29-5-4-21(27)28/h1-4,6-11H,5,12H2.
What are the key properties of 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene?
1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene has a molecular weight of 539.07 g/mol, XLogP of 9.37, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[[3-(3,5-dichlorophenoxy)phenyl]methoxy]-5-(3,3-dichloroprop-2-enoxy)benzene is sourced from PubChem (CID 23203507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).