4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol

C21H36O5 — CID 164592846

IUPAC4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
SMILESOCCCCOCCOCCOCCCCCCOCc1ccccc1
InChIInChI=1S/C21H36O5/c22-12-6-9-14-24-17-19-25-18-16-23-13-7-1-2-8-15-26-20-21-10-4-3-5-11-21/h3-5,10-11,22H,1-2,6-9,12-20H2
InChIKeyROWSYJBIGQUUAL-UHFFFAOYSA-N
MW368.51 g/mol
LogP3.59
Rot. Bonds19

About 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol

4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol (PubChem CID 164592846) has the molecular formula C21H36O5 and a molecular weight of 368.51 g/mol. Its IUPAC name is 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol.

Molecular Properties

Compound Name4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
PubChem CID164592846
Molecular FormulaC21H36O5
Molecular Weight368.51 g/mol
Exact Mass368.26
IUPAC Name4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol
SMILESOCCCCOCCOCCOCCCCCCOCc1ccccc1
InChIInChI=1S/C21H36O5/c22-12-6-9-14-24-17-19-25-18-16-23-13-7-1-2-8-15-26-20-21-10-4-3-5-11-21/h3-5,10-11,22H,1-2,6-9,12-20H2
InChIKeyROWSYJBIGQUUAL-UHFFFAOYSA-N
XLogP3.59
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds19
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(5-phenylmethoxypentoxy)pentan-1-ol
CID 155584786
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
acetic acid;5-phenylmethoxypentan-1-ol
CID 71441282
5-[(4-phenoxyphenyl)methoxy]pentan-1-ol
CID 22357963
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
2-(hydroxymethyl)-2-(4-phenylmethoxybutoxymethyl)propane-1,3-diol
CID 131987442
tris(8-phenylmethoxyoctyl)borane
CID 102473578
(7S)-7,10-bis(phenylmethoxy)decan-1-ol
CID 25269371

Frequently Asked Questions

What is the IUPAC name of 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol?
The IUPAC name of 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol (CID 164592846) is 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol.
What is the SMILES notation for 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol?
The canonical SMILES for 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol is OCCCCOCCOCCOCCCCCCOCc1ccccc1.
What is the InChIKey of 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol?
The InChIKey is ROWSYJBIGQUUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36O5/c22-12-6-9-14-24-17-19-25-18-16-23-13-7-1-2-8-15-26-20-21-10-4-3-5-11-21/h3-5,10-11,22H,1-2,6-9,12-20H2.
What are the key properties of 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol?
4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol has a molecular weight of 368.51 g/mol, XLogP of 3.59, 19 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[2-(6-phenylmethoxyhexoxy)ethoxy]ethoxy]butan-1-ol is sourced from PubChem (CID 164592846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).