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

C23H24O3 — CID 11973922

IUPAC1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1
InChIInChI=1S/C23H24O3/c1-24-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)26-17-19-8-6-11-22(16-19)25-2/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyLYYXIMJVXJKHNW-UHFFFAOYSA-N
MW348.44 g/mol
LogP5.07
Rot. Bonds8

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

1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (PubChem CID 11973922) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.

Molecular Properties

Compound Name1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
PubChem CID11973922
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene
SMILESCOc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1
InChIInChI=1S/C23H24O3/c1-24-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)26-17-19-8-6-11-22(16-19)25-2/h3-12,15-16H,13-14,17H2,1-2H3
InChIKeyLYYXIMJVXJKHNW-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
3-Phenoxybenzyl alcohol
CID 26295
Xanthene
CID 7107
Carvacryl ethyl ether
CID 527268
1-(Benzyloxy)-2-methoxy-4-(prop-1-en-1-yl)benzene
CID 764139
Silafluofen
CID 92430
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
3-Phenoxytoluene
CID 19165
Halfenprox
CID 10140464
Benzyl 2-naphthyl ether
CID 123080
Benzyl isoeugenol
CID 61046
2-Methoxybiphenyl
CID 6835

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The IUPAC name of 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene (CID 11973922) is 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene.
What is the SMILES notation for 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The canonical SMILES for 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is COc1cccc(CCc2ccccc2OCc2cccc(OC)c2)c1.
What is the InChIKey of 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
The InChIKey is LYYXIMJVXJKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-24-21-10-5-7-18(15-21)13-14-20-9-3-4-12-23(20)26-17-19-8-6-11-22(16-19)25-2/h3-12,15-16H,13-14,17H2,1-2H3.
What are the key properties of 1-methoxy-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene?
1-methoxy-3-[[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-3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]benzene is sourced from PubChem (CID 11973922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).