1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene

C17H17Cl3O3 — CID 91491822

IUPAC1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H17Cl3O3/c1-21-14-8-4-12(5-9-14)16(23-3,17(18,19)20)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
InChIKeyDNTQRDBYTSNDMF-UHFFFAOYSA-N
MW375.68 g/mol
LogP4.96
Rot. Bonds5

About 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene

1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene (PubChem CID 91491822) has the molecular formula C17H17Cl3O3 and a molecular weight of 375.68 g/mol. Its IUPAC name is 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
PubChem CID91491822
Molecular FormulaC17H17Cl3O3
Molecular Weight375.68 g/mol
Exact Mass374.02
IUPAC Name1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(C(OC)(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C17H17Cl3O3/c1-21-14-8-4-12(5-9-14)16(23-3,17(18,19)20)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3
InChIKeyDNTQRDBYTSNDMF-UHFFFAOYSA-N
XLogP4.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[dimethoxy-(4-methoxyphenyl)methyl]benzene
CID 86224004
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)ethyl]benzene
CID 100982680
2-chloro-2-(4-methoxyphenyl)propanal
CID 174937779
[4-[(1S)-1-chloro-1-(4-methoxyphenyl)ethyl]phenoxy]phosphane
CID 71129441
CID 102373172
CID 102373172
CID 67872318
CID 67872318
methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
CID 174660732
1-[2,4-bis(4-methoxyphenyl)-4-methylpentan-2-yl]-4-methoxybenzene
CID 633671
1-methoxy-4-[1-methoxy-1-(4-methoxyphenyl)prop-2-ynyl]benzene
CID 148766498
bis[2-(4-methoxyphenyl)propan-2-yl]diazene
CID 101224810
1,4-bis[1,1,1,3,3,3-hexafluoro-2-(4-methoxyphenyl)propan-2-yl]benzene
CID 88568102
CID 154175564
CID 154175564

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene (CID 91491822) is 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene is COc1ccc(C(OC)(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is DNTQRDBYTSNDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl3O3/c1-21-14-8-4-12(5-9-14)16(23-3,17(18,19)20)13-6-10-15(22-2)11-7-13/h4-11H,1-3H3.
What are the key properties of 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene?
1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 375.68 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2,2,2-trichloro-1-methoxy-1-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 91491822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).