1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene

C23H24O3 — CID 24807986

IUPAC1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1ccc(COc2ccccc2CCc2cccc(OC)c2)cc1
InChIInChI=1S/C23H24O3/c1-24-21-14-11-19(12-15-21)17-26-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)25-2/h3-9,11-12,14-16H,10,13,17H2,1-2H3
InChIKeyXNQCQYQFCIIWRA-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.07
Rot. Bonds8

About 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene

1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (PubChem CID 24807986) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
PubChem CID24807986
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1ccc(COc2ccccc2CCc2cccc(OC)c2)cc1
InChIInChI=1S/C23H24O3/c1-24-21-14-11-19(12-15-21)17-26-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)25-2/h3-9,11-12,14-16H,10,13,17H2,1-2H3
InChIKeyXNQCQYQFCIIWRA-UHFFFAOYSA-N
XLogP5.07
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.44
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Etofenprox
CID 71245
2-Ethoxynaphthalene
CID 7129
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
2,3',4,5'-Tetramethoxystilbene
CID 5354004
2-(2-Methylpropoxy)naphthalene
CID 16582
Silafluofen
CID 92430
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Halfenprox
CID 10140464
Benzyl 2-naphthyl ether
CID 123080
Benzyl isoeugenol
CID 61046
2-Biphenylyl phenyl ether
CID 81220
4-Methoxy-alpha,alpha-diphenylbenzenemethanol
CID 70061

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The IUPAC name of 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (CID 24807986) is 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is COc1ccc(COc2ccccc2CCc2cccc(OC)c2)cc1.
What is the InChIKey of 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The InChIKey is XNQCQYQFCIIWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-24-21-14-11-19(12-15-21)17-26-23-9-4-3-7-20(23)13-10-18-6-5-8-22(16-18)25-2/h3-9,11-12,14-16H,10,13,17H2,1-2H3.
What are the key properties of 1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
1-methoxy-4-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene has a molecular weight of 348.44 g/mol, XLogP of 5.07, 8 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-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is sourced from PubChem (CID 24807986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).