1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene

C58H75Cl7O4 — CID 143165155

IUPAC1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCCCCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(CC)(CC)CCCCCOc3c(Cl)cc(C(C)(C)c4cc(C)c(OC(CC)(CC)CCCCC=C)c(Cl)c4)cc3Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C58H75Cl7O4/c1-12-18-20-23-27-57(14-3,15-4)68-51-39(7)31-40(32-44(51)59)55(8,9)41-33-45(60)53(46(61)34-41)67-30-26-22-24-28-58(16-5,17-6)69-54-49(64)37-43(38-50(54)65)56(10,11)42-35-47(62)52(48(63)36-42)66-29-25-21-19-13-2/h12-13,31-38H,1-2,14-30H2,3-11H3
InChIKeyBBSWXBQLGXFCRO-UHFFFAOYSA-N
MW1084.40 g/mol
LogP21.22
Rot. Bonds30

About 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene

1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene (PubChem CID 143165155) has the molecular formula C58H75Cl7O4 and a molecular weight of 1084.40 g/mol. Its IUPAC name is 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene.

Molecular Properties

Compound Name1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene
PubChem CID143165155
Molecular FormulaC58H75Cl7O4
Molecular Weight1084.40 g/mol
Exact Mass1080.35
IUPAC Name1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene
SMILESC=CCCCCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(CC)(CC)CCCCCOc3c(Cl)cc(C(C)(C)c4cc(C)c(OC(CC)(CC)CCCCC=C)c(Cl)c4)cc3Cl)c(Cl)c2)cc1Cl
InChIInChI=1S/C58H75Cl7O4/c1-12-18-20-23-27-57(14-3,15-4)68-51-39(7)31-40(32-44(51)59)55(8,9)41-33-45(60)53(46(61)34-41)67-30-26-22-24-28-58(16-5,17-6)69-54-49(64)37-43(38-50(54)65)56(10,11)42-35-47(62)52(48(63)36-42)66-29-25-21-19-13-2/h12-13,31-38H,1-2,14-30H2,3-11H3
InChIKeyBBSWXBQLGXFCRO-UHFFFAOYSA-N
XLogP21.22
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds30
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001084.40
LogP ≤ 521.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene with MolForge

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Related Compounds

1,3-dichloro-2-[5-[2,6-dichloro-4-[2-(3,5-dichloro-4-pent-4-enoxyphenyl)propan-2-yl]phenoxy]pentoxy]-5-[2-(3,5-dichloro-4-pent-4-enoxyphenyl)propan-2-yl]benzene
CID 59168487
4-[4-[2-(4-but-3-enoxy-3,5-dichlorophenyl)propan-2-yl]-2-chloro-6-methylphenoxy]butyl-[4-[2-(4-but-3-enoxy-3,5-dichlorophenyl)propan-2-yl]-2,6-dichlorophenyl]oxidanium
CID 154548464
1,3-dibromo-5-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]-2-hex-5-enoxybenzene
CID 59551592
2-but-3-enoxy-5-[2-(4-but-3-enoxy-3,5-dichlorophenyl)propan-2-yl]-1,3-dichlorobenzene;1,3-dibromo-2-but-3-enoxy-5-[2-(3,5-dibromo-4-but-3-enoxyphenyl)propan-2-yl]benzene;1,3-dibromo-5-[2-(3,5-dibromo-4-pent-4-enoxyphenyl)propan-2-yl]-2-pent-4-enoxybenzene;1,3-dibromo-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene;1,3-dichloro-5-[2-(3,5-dichloro-4-pent-4-enoxyphenyl)propan-2-yl]-2-pent-4-enoxybenzene;1,3-dichloro-5-[2-(3,5-dichloro-4-prop-2-enoxyphenyl)propan-2-yl]-2-prop-2-enoxybenzene
CID 159018125
2-but-3-enoxy-5-[2-[4-[4-[4-[2-(4-but-3-enoxy-3,5-dichlorophenyl)propan-2-yl]-2,6-dichlorophenoxy]butoxy]-3,5-dichlorophenyl]propan-2-yl]-1,3-dichlorobenzene;1,3-dibromo-2-but-3-enoxy-5-[2-[3,5-dibromo-4-[4-[2,6-dibromo-4-[2-(3,5-dibromo-4-but-3-enoxyphenyl)propan-2-yl]phenoxy]butoxy]phenyl]propan-2-yl]benzene;1,3-dibromo-2-[6-[2,6-dibromo-4-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]phenoxy]hexoxy]-5-[2-(3,5-dibromo-4-hex-5-enoxyphenyl)propan-2-yl]benzene;1,3-dibromo-2-[5-[2,6-dibromo-4-[2-(3,5-dibromo-4-pent-4-enoxyphenyl)propan-2-yl]phenoxy]pentoxy]-5-[2-(3,5-dibromo-4-pent-4-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-2-[6-[2,6-dichloro-4-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]phenoxy]hexoxy]-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-2-[5-[2,6-dichloro-4-[2-(3,5-dichloro-4-hex-5-en-2-yloxyphenyl)propan-2-yl]phenoxy]hexan-2-yloxy]-5-[2-(3,5-dichloro-4-hex-5-en-2-yloxyphenyl)propan-2-yl]benzene
CID 158881616
4-hept-6-enoxy-3,5-dimethylbenzaldehyde
CID 107007315
3-ethylundec-10-en-3-yloxysilane
CID 173196898
2-but-3-enoxy-5-[1-(4-but-3-enoxy-3,5-dichlorophenyl)-1-phenylethyl]-1,3-dichlorobenzene
CID 59168479
N-[(3,5-dichloro-2-hept-6-enoxyphenyl)methyl]ethanamine
CID 107006108
4-chloro-2-hept-6-enoxy-1-methylbenzene
CID 107010573
1,3-dibromo-2-[3-[2,6-dibromo-4-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]-5-[2-(3,5-dibromo-4-prop-2-enoxyphenyl)propan-2-yl]benzene;1,3-dichloro-5-[1-(3,5-dichloro-4-pent-4-enoxyphenyl)-1-phenylethyl]-2-pent-4-enoxybenzene;bis(1-prop-2-enoxy-4-[[4-[3-[4-[(4-prop-2-enoxyphenyl)methyl]phenoxy]propoxy]phenyl]methyl]benzene);bis(1-prop-2-enoxy-4-[2-[4-[3-[4-[2-(4-prop-2-enoxyphenyl)propan-2-yl]phenoxy]propoxy]phenyl]propan-2-yl]benzene)
CID 159976279
1-(5-bromo-2-hept-6-enoxy-3-methylphenyl)butan-2-amine
CID 107009957

Frequently Asked Questions

What is the IUPAC name of 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene?
The IUPAC name of 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene (CID 143165155) is 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene.
What is the SMILES notation for 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene?
The canonical SMILES for 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene is C=CCCCCOc1c(Cl)cc(C(C)(C)c2cc(Cl)c(OC(CC)(CC)CCCCCOc3c(Cl)cc(C(C)(C)c4cc(C)c(OC(CC)(CC)CCCCC=C)c(Cl)c4)cc3Cl)c(Cl)c2)cc1Cl.
What is the InChIKey of 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene?
The InChIKey is BBSWXBQLGXFCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H75Cl7O4/c1-12-18-20-23-27-57(14-3,15-4)68-51-39(7)31-40(32-44(51)59)55(8,9)41-33-45(60)53(46(61)34-41)67-30-26-22-24-28-58(16-5,17-6)69-54-49(64)37-43(38-50(54)65)56(10,11)42-35-47(62)52(48(63)36-42)66-29-25-21-19-13-2/h12-13,31-38H,1-2,14-30H2,3-11H3.
What are the key properties of 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene?
1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene has a molecular weight of 1084.40 g/mol, XLogP of 21.22, 30 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dichloro-2-[8-[2,6-dichloro-4-[2-[3-chloro-4-(3-ethylnon-8-en-3-yloxy)-5-methylphenyl]propan-2-yl]phenoxy]-3-ethyloctan-3-yl]oxy-5-[2-(3,5-dichloro-4-hex-5-enoxyphenyl)propan-2-yl]benzene is sourced from PubChem (CID 143165155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).