1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene

C24H19Cl3O2 — CID 2202790

IUPAC1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)c3ccccc23)C(Cl)(Cl)Cl)c2ccccc12
InChIInChI=1S/C24H19Cl3O2/c1-28-21-13-11-19(15-7-3-5-9-17(15)21)23(24(25,26)27)20-12-14-22(29-2)18-10-6-4-8-16(18)20/h3-14,23H,1-2H3
InChIKeyHMGXVZSWETYLDB-UHFFFAOYSA-N
MW445.77 g/mol
LogP7.51
Rot. Bonds4

About 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene

1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene (PubChem CID 2202790) has the molecular formula C24H19Cl3O2 and a molecular weight of 445.77 g/mol. Its IUPAC name is 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene.

Molecular Properties

Compound Name1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
PubChem CID2202790
Molecular FormulaC24H19Cl3O2
Molecular Weight445.77 g/mol
Exact Mass444.05
IUPAC Name1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene
SMILESCOc1ccc(C(c2ccc(OC)c3ccccc23)C(Cl)(Cl)Cl)c2ccccc12
InChIInChI=1S/C24H19Cl3O2/c1-28-21-13-11-19(15-7-3-5-9-17(15)21)23(24(25,26)27)20-12-14-22(29-2)18-10-6-4-8-16(18)20/h3-14,23H,1-2H3
InChIKeyHMGXVZSWETYLDB-UHFFFAOYSA-N
XLogP7.51
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.77
LogP ≤ 57.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-methoxynaphthalen-1-yl)ethanol
CID 82758527
1-(4-methoxynaphthalen-1-yl)-2,2-dimethylpropan-1-ol
CID 61101734
(1R)-2,2,2-trifluoro-1-(4-methoxynaphthalen-1-yl)ethanamine
CID 29081387
1-(1-bromo-2-methylpropyl)-4-methoxynaphthalene
CID 63439056
1-(1-chlorobutyl)-4-methoxynaphthalene
CID 63430592
1-(1-chloro-2-ethylbutyl)-4-methoxynaphthalene
CID 63430865
2-bromo-2,2-difluoro-1-(4-methoxynaphthalen-1-yl)ethanol
CID 107140252
2,4-bis(4-methoxynaphthalen-1-yl)pentan-3-one
CID 151420468
2-(4-methoxynaphthalen-1-yl)-2-phenylacetonitrile
CID 16736122
(3S)-3-amino-3-(4-methoxynaphthalen-1-yl)propanenitrile
CID 171260239
1-chloro-4-methoxynaphthalene
CID 606038
methyl 2-amino-2-(4-methoxynaphthalen-1-yl)acetate
CID 79016866

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene?
The IUPAC name of 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene (CID 2202790) is 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene.
What is the SMILES notation for 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene?
The canonical SMILES for 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene is COc1ccc(C(c2ccc(OC)c3ccccc23)C(Cl)(Cl)Cl)c2ccccc12.
What is the InChIKey of 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene?
The InChIKey is HMGXVZSWETYLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19Cl3O2/c1-28-21-13-11-19(15-7-3-5-9-17(15)21)23(24(25,26)27)20-12-14-22(29-2)18-10-6-4-8-16(18)20/h3-14,23H,1-2H3.
What are the key properties of 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene?
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene has a molecular weight of 445.77 g/mol, XLogP of 7.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[2,2,2-trichloro-1-(4-methoxynaphthalen-1-yl)ethyl]naphthalene is sourced from PubChem (CID 2202790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).