1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene

C20H26O3 — CID 57166946

IUPAC1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
SMILESCOC(COCC(OC)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H26O3/c1-15-5-9-17(10-6-15)19(21-3)13-23-14-20(22-4)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3
InChIKeySJUJCVROCZFHBZ-UHFFFAOYSA-N
MW314.43 g/mol
LogP4.40
Rot. Bonds8

About 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene

1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene (PubChem CID 57166946) has the molecular formula C20H26O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene.

Molecular Properties

Compound Name1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
PubChem CID57166946
Molecular FormulaC20H26O3
Molecular Weight314.43 g/mol
Exact Mass314.19
IUPAC Name1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
SMILESCOC(COCC(OC)c1ccc(C)cc1)c1ccc(C)cc1
InChIInChI=1S/C20H26O3/c1-15-5-9-17(10-6-15)19(21-3)13-23-14-20(22-4)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3
InChIKeySJUJCVROCZFHBZ-UHFFFAOYSA-N
XLogP4.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-methoxy-1-(4-methylphenoxy)ethyl]-4-methylbenzene
CID 59273396
1-(2-methoxy-2-phenylethoxy)propan-2-ol
CID 59464511
N-[2-methoxy-2-(4-methylphenyl)ethyl]-N-methylpropan-2-amine
CID 158184053
[(1S)-2-ethoxy-1-methoxyethyl]benzene
CID 155459528
1-(1-methoxy-2-phenylselanylethyl)-4-methylbenzene
CID 122224983
(1R)-1-[4-[(1S)-1,2-dimethoxyethyl]phenyl]ethanol
CID 124500385
1-[4-(1,2-dimethoxyethyl)phenyl]ethanol
CID 102543604
1-[2-bromo-1-[2-bromo-1-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene
CID 71492886
benzene;[(1R)-1,2-dimethoxyethyl]benzene
CID 178156280
1-(1-methoxyethyl)-4-[[3-(2-methoxy-2-phenylethoxy)-2-methylpropoxy]methyl]benzene
CID 59464469
1-[2-iodo-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylbenzene
CID 114775095
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-1-(4-methylphenyl)ethanamine
CID 104560552

Frequently Asked Questions

What is the IUPAC name of 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene?
The IUPAC name of 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene (CID 57166946) is 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene.
What is the SMILES notation for 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene?
The canonical SMILES for 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene is COC(COCC(OC)c1ccc(C)cc1)c1ccc(C)cc1.
What is the InChIKey of 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene?
The InChIKey is SJUJCVROCZFHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O3/c1-15-5-9-17(10-6-15)19(21-3)13-23-14-20(22-4)18-11-7-16(2)8-12-18/h5-12,19-20H,13-14H2,1-4H3.
What are the key properties of 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene?
1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene has a molecular weight of 314.43 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-methoxy-2-[2-methoxy-2-(4-methylphenyl)ethoxy]ethyl]-4-methylbenzene is sourced from PubChem (CID 57166946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).