1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene

C26H22Cl4O2 — CID 59551589

IUPAC1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
SMILESC=CCc1cc(Cl)cc(Cl)c1OCc1ccc(COc2c(Cl)cc(Cl)cc2CC=C)cc1
InChIInChI=1S/C26H22Cl4O2/c1-3-5-19-11-21(27)13-23(29)25(19)31-15-17-7-9-18(10-8-17)16-32-26-20(6-4-2)12-22(28)14-24(26)30/h3-4,7-14H,1-2,5-6,15-16H2
InChIKeyUENFJLQRTTVROW-UHFFFAOYSA-N
MW508.27 g/mol
LogP8.92
Rot. Bonds10

About 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene

1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene (PubChem CID 59551589) has the molecular formula C26H22Cl4O2 and a molecular weight of 508.27 g/mol. Its IUPAC name is 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
PubChem CID59551589
Molecular FormulaC26H22Cl4O2
Molecular Weight508.27 g/mol
Exact Mass506.04
IUPAC Name1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
SMILESC=CCc1cc(Cl)cc(Cl)c1OCc1ccc(COc2c(Cl)cc(Cl)cc2CC=C)cc1
InChIInChI=1S/C26H22Cl4O2/c1-3-5-19-11-21(27)13-23(29)25(19)31-15-17-7-9-18(10-8-17)16-32-26-20(6-4-2)12-22(28)14-24(26)30/h3-4,7-14H,1-2,5-6,15-16H2
InChIKeyUENFJLQRTTVROW-UHFFFAOYSA-N
XLogP8.92
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.27
LogP ≤ 58.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551586
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
1,5-dichloro-3-(chloromethyl)-2-[(3,4-dichlorophenyl)methoxy]benzene
CID 63536214
[4-[(2,4,6-trichlorophenoxy)methyl]phenyl]methanamine
CID 22688679
[3,5-dichloro-2-[(4-methoxyphenyl)methoxy]phenyl]methanol
CID 43516151
4-[[2,4-dichloro-6-(chloromethyl)phenoxy]methyl]benzonitrile
CID 43516336
1-tert-butyl-2-[(4-chlorophenyl)methoxy]-5-methyl-3-prop-2-enylbenzene
CID 50888459
2-(2,4-dichloro-6-prop-2-enylphenoxy)acetohydrazide
CID 54849931
1-[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]propan-2-amine
CID 63421756
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818
1-(bromomethyl)-3,5-dichloro-2-[(4-nitrophenyl)methoxy]benzene
CID 43516353

Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The IUPAC name of 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene (CID 59551589) is 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene.
What is the SMILES notation for 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The canonical SMILES for 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene is C=CCc1cc(Cl)cc(Cl)c1OCc1ccc(COc2c(Cl)cc(Cl)cc2CC=C)cc1.
What is the InChIKey of 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The InChIKey is UENFJLQRTTVROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22Cl4O2/c1-3-5-19-11-21(27)13-23(29)25(19)31-15-17-7-9-18(10-8-17)16-32-26-20(6-4-2)12-22(28)14-24(26)30/h3-4,7-14H,1-2,5-6,15-16H2.
What are the key properties of 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene has a molecular weight of 508.27 g/mol, XLogP of 8.92, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene is sourced from PubChem (CID 59551589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).