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

C26H24Cl2O2 — CID 59551586

IUPAC1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
SMILESC=CCc1cccc(Cl)c1OCc1ccc(COc2c(Cl)cccc2CC=C)cc1
InChIInChI=1S/C26H24Cl2O2/c1-3-7-21-9-5-11-23(27)25(21)29-17-19-13-15-20(16-14-19)18-30-26-22(8-4-2)10-6-12-24(26)28/h3-6,9-16H,1-2,7-8,17-18H2
InChIKeyKLGLXIIGEHJJRN-UHFFFAOYSA-N
MW439.38 g/mol
LogP7.61
Rot. Bonds10

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

1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene (PubChem CID 59551586) has the molecular formula C26H24Cl2O2 and a molecular weight of 439.38 g/mol. Its IUPAC name is 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene.

Molecular Properties

Compound Name1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
PubChem CID59551586
Molecular FormulaC26H24Cl2O2
Molecular Weight439.38 g/mol
Exact Mass438.12
IUPAC Name1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
SMILESC=CCc1cccc(Cl)c1OCc1ccc(COc2c(Cl)cccc2CC=C)cc1
InChIInChI=1S/C26H24Cl2O2/c1-3-7-21-9-5-11-23(27)25(21)29-17-19-13-15-20(16-14-19)18-30-26-22(8-4-2)10-6-12-24(26)28/h3-6,9-16H,1-2,7-8,17-18H2
InChIKeyKLGLXIIGEHJJRN-UHFFFAOYSA-N
XLogP7.61
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.38
LogP ≤ 57.61
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

1,5-dichloro-2-[[4-[(2,4-dichloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene
CID 59551589
4-chloro-1-phenylmethoxy-2-prop-2-enylnaphthalene
CID 68583368
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
[3-chloro-2-[(4-fluorophenyl)methoxy]phenyl]methanol
CID 115956286
1-(bromomethyl)-3-chloro-2-[(4-methoxyphenyl)methoxy]benzene
CID 112613844
4-[3-(2-chloro-6-prop-2-enylphenoxy)propyl]morpholin-4-ium
CID 7379875
1-[2-(2-chloro-6-prop-2-enylphenoxy)ethyl]imidazole
CID 2993147
4-[[2-(2-aminobutyl)-6-chlorophenoxy]methyl]phenol
CID 115958442
1-chloro-4-fluoro-2-phenylmethoxy-3-prop-2-enylbenzene
CID 122657114
1-[3-chloro-2-[(4-iodophenyl)methoxy]phenyl]butan-2-amine
CID 115958466
N-[[3-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methyl]cyclopropanamine
CID 115953820
4-[[2-(2-aminopropyl)-6-chlorophenoxy]methyl]benzonitrile
CID 115958311

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The IUPAC name of 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene (CID 59551586) is 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene.
What is the SMILES notation for 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The canonical SMILES for 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene is C=CCc1cccc(Cl)c1OCc1ccc(COc2c(Cl)cccc2CC=C)cc1.
What is the InChIKey of 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
The InChIKey is KLGLXIIGEHJJRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24Cl2O2/c1-3-7-21-9-5-11-23(27)25(21)29-17-19-13-15-20(16-14-19)18-30-26-22(8-4-2)10-6-12-24(26)28/h3-6,9-16H,1-2,7-8,17-18H2.
What are the key properties of 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene?
1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene has a molecular weight of 439.38 g/mol, XLogP of 7.61, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[4-[(2-chloro-6-prop-2-enylphenoxy)methyl]phenyl]methoxy]-3-prop-2-enylbenzene is sourced from PubChem (CID 59551586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).