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

C18H21Cl3O3 — CID 174660732

IUPACmethoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
SMILESCOC.COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H15Cl3O2.C2H6O/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12;1-3-2/h3-10,15H,1-2H3;1-2H3
InChIKeyHONPOJNRGGACPC-UHFFFAOYSA-N
MW391.72 g/mol
LogP5.47
Rot. Bonds4

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

methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene (PubChem CID 174660732) has the molecular formula C18H21Cl3O3 and a molecular weight of 391.72 g/mol. Its IUPAC name is methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Namemethoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
PubChem CID174660732
Molecular FormulaC18H21Cl3O3
Molecular Weight391.72 g/mol
Exact Mass390.06
IUPAC Namemethoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
SMILESCOC.COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C16H15Cl3O2.C2H6O/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12;1-3-2/h3-10,15H,1-2H3;1-2H3
InChIKeyHONPOJNRGGACPC-UHFFFAOYSA-N
XLogP5.47
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.72
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 67872318
CID 67872318
methoxymethane;[4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]phenoxy]methanol
CID 175290818
1-[chloro(methoxy)methyl]-4-methoxybenzene
CID 15657443
1-[bis[4-[(4-methoxyphenyl)-phenylmethyl]phenyl]methyl]-4-methoxybenzene
CID 70877905
chloro-(4-methoxyphenyl)methanol
CID 130923369
1-[bis(4-methoxyphenyl)methyl]-4-phenylbenzene
CID 134976312
(4-methoxyphenyl)methanedithiol
CID 19893185
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
1-[(1S,4R)-1,4-dichloro-4-(4-methoxyphenyl)butyl]-4-methoxybenzene
CID 125465408
1-(1-chloro-2-methylpropyl)-4-methoxybenzene
CID 61081165
[2-chloro-2,2-difluoro-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105265477
2-chloro-1-(4-methoxyphenyl)propane-1,3-diol
CID 10420893

Frequently Asked Questions

What is the IUPAC name of methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene (CID 174660732) is methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene is COC.COc1ccc(C(c2ccc(OC)cc2)C(Cl)(Cl)Cl)cc1.
What is the InChIKey of methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is HONPOJNRGGACPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl3O2.C2H6O/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12;1-3-2/h3-10,15H,1-2H3;1-2H3.
What are the key properties of methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene?
methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 391.72 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methoxymethane;1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 174660732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).