4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene

C16H12Cl4O2 — CID 3015769

IUPAC4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(=C(Cl)Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H12Cl4O2/c1-21-13-5-3-9(17)7-11(13)15(16(19)20)12-8-10(18)4-6-14(12)22-2/h3-8H,1-2H3
InChIKeyOCTBWPUVCRTUQQ-UHFFFAOYSA-N
MW378.08 g/mol
LogP6.21
Rot. Bonds4

About 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene

4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene (PubChem CID 3015769) has the molecular formula C16H12Cl4O2 and a molecular weight of 378.08 g/mol. Its IUPAC name is 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
PubChem CID3015769
Molecular FormulaC16H12Cl4O2
Molecular Weight378.08 g/mol
Exact Mass375.96
IUPAC Name4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(=C(Cl)Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C16H12Cl4O2/c1-21-13-5-3-9(17)7-11(13)15(16(19)20)12-8-10(18)4-6-14(12)22-2/h3-8H,1-2H3
InChIKeyOCTBWPUVCRTUQQ-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.08
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-methoxybenzoate
CID 6933314
4-chloro-1-methoxy-2-prop-1-en-2-ylbenzene;ethane
CID 143014444
5-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 7922079
1-(5-chloro-2-methoxyphenyl)-2,2-dimethylpropan-1-one
CID 62789919
2-bromo-2-chloro-1-(5-chloro-2-methoxyphenyl)ethanone
CID 116863835
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
1-(5-chloro-2-methoxyphenyl)-2,3-dimethylbutan-1-one
CID 104544879
(5-chloro-2-methoxyphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43339633
2-(5-chloro-2-methoxyphenyl)-3-methylbut-2-enenitrile
CID 82080163
(5-chloro-2-methoxyphenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106681940
(3-chloro-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43161713
4-chloro-N'-(5-chloro-2-methoxybenzoyl)-2-methoxybenzohydrazide
CID 29278893

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene (CID 3015769) is 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene is COc1ccc(Cl)cc1C(=C(Cl)Cl)c1cc(Cl)ccc1OC.
What is the InChIKey of 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene?
The InChIKey is OCTBWPUVCRTUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl4O2/c1-21-13-5-3-9(17)7-11(13)15(16(19)20)12-8-10(18)4-6-14(12)22-2/h3-8H,1-2H3.
What are the key properties of 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene?
4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene has a molecular weight of 378.08 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[2,2-dichloro-1-(5-chloro-2-methoxyphenyl)ethenyl]-1-methoxybenzene is sourced from PubChem (CID 3015769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).