2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol

C27H32O6 — CID 57357526

IUPAC2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(C(OCCOCCOCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O6/c1-29-25-12-8-23(9-13-25)27(22-6-4-3-5-7-22,24-10-14-26(30-2)15-11-24)33-21-20-32-19-18-31-17-16-28/h3-15,28H,16-21H2,1-2H3
InChIKeyQUZOXUWFELICHB-UHFFFAOYSA-N
MW452.55 g/mol
LogP4.04
Rot. Bonds14

About 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol

2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol (PubChem CID 57357526) has the molecular formula C27H32O6 and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
PubChem CID57357526
Molecular FormulaC27H32O6
Molecular Weight452.55 g/mol
Exact Mass452.22
IUPAC Name2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
SMILESCOc1ccc(C(OCCOCCOCCO)(c2ccccc2)c2ccc(OC)cc2)cc1
InChIInChI=1S/C27H32O6/c1-29-25-12-8-23(9-13-25)27(22-6-4-3-5-7-22,24-10-14-26(30-2)15-11-24)33-21-20-32-19-18-31-17-16-28/h3-15,28H,16-21H2,1-2H3
InChIKeyQUZOXUWFELICHB-UHFFFAOYSA-N
XLogP4.04
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 54065876
methanesulfonic acid;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol
CID 71346038
anisole;2-[2-(2-hydroxyethoxy)ethoxy]ethanol
CID 159647110
2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyldisulfanyl]ethanol
CID 11408463
2-[2-[2-[bis(2-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol
CID 126752153
4-[2-[2-[2-[2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-4-oxobutanoic acid
CID 18974823
anisole;2-(2-hydroxyethoxy)ethanol
CID 21463823
2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethanol;2-[2-[2-(2-trityloxyethoxy)ethoxy]ethoxy]ethyl methanesulfonate
CID 165061448
2-[N-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethyl]anilino]ethanol
CID 69286303
4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 22022612
(2R,3R)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butane-1,2,3-triol
CID 67864554
(2S)-4-[bis(4-methoxyphenyl)-phenylmethoxy]butan-2-ol
CID 58798149

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol (CID 57357526) is 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol is COc1ccc(C(OCCOCCOCCO)(c2ccccc2)c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol?
The InChIKey is QUZOXUWFELICHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32O6/c1-29-25-12-8-23(9-13-25)27(22-6-4-3-5-7-22,24-10-14-26(30-2)15-11-24)33-21-20-32-19-18-31-17-16-28/h3-15,28H,16-21H2,1-2H3.
What are the key properties of 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol?
2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol has a molecular weight of 452.55 g/mol, XLogP of 4.04, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[bis(4-methoxyphenyl)-phenylmethoxy]ethoxy]ethoxy]ethanol is sourced from PubChem (CID 57357526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).