4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene

C21H17Cl3O2 — CID 56601836

IUPAC4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(c1ccccc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17Cl3O2/c1-25-19-9-7-13(22)11-16(19)21(15-5-3-4-6-18(15)24)17-12-14(23)8-10-20(17)26-2/h3-12,21H,1-2H3
InChIKeyWBUNTQMDTRQOFQ-UHFFFAOYSA-N
MW407.72 g/mol
LogP6.84
Rot. Bonds5

About 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene

4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene (PubChem CID 56601836) has the molecular formula C21H17Cl3O2 and a molecular weight of 407.72 g/mol. Its IUPAC name is 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
PubChem CID56601836
Molecular FormulaC21H17Cl3O2
Molecular Weight407.72 g/mol
Exact Mass406.03
IUPAC Name4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(c1ccccc1Cl)c1cc(Cl)ccc1OC
InChIInChI=1S/C21H17Cl3O2/c1-25-19-9-7-13(22)11-16(19)21(15-5-3-4-6-18(15)24)17-12-14(23)8-10-20(17)26-2/h3-12,21H,1-2H3
InChIKeyWBUNTQMDTRQOFQ-UHFFFAOYSA-N
XLogP6.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.72
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 50999166
(2,5-dichlorophenyl)-(2-methoxyphenyl)methanol
CID 61082800
(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methanamine
CID 55116277
2-[(2-chlorophenyl)-(2,4,6-trimethoxyphenyl)methyl]-1,3,5-trimethoxybenzene
CID 46896091
2-(5-chloro-2-methoxyphenyl)-2-phenylethanamine
CID 82501011
1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)-N-methylethanamine
CID 61079470
[(5-chloro-2-methoxyphenyl)-(2-methoxyphenyl)methyl]hydrazine
CID 105191297
1-(5-chloro-2-methoxyphenyl)-N,N'-dimethylmethanediamine
CID 116954303
(1S)-1-(5-chloro-2-methoxyphenyl)ethanamine;hydrochloride
CID 171234656
[1-(5-chloro-2-methoxyphenyl)-2-(2-chlorophenyl)ethyl]hydrazine
CID 105209656
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
2-(1-bromo-2-phenylbutyl)-4-chloro-1-methoxybenzene
CID 104546500

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene (CID 56601836) is 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene is COc1ccc(Cl)cc1C(c1ccccc1Cl)c1cc(Cl)ccc1OC.
What is the InChIKey of 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene?
The InChIKey is WBUNTQMDTRQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3O2/c1-25-19-9-7-13(22)11-16(19)21(15-5-3-4-6-18(15)24)17-12-14(23)8-10-20(17)26-2/h3-12,21H,1-2H3.
What are the key properties of 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene?
4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene has a molecular weight of 407.72 g/mol, XLogP of 6.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(5-chloro-2-methoxyphenyl)-(2-chlorophenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 56601836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).