2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol

C36H58O9 — CID 139748771

IUPAC2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
SMILESCCCCCCCCCc1cc(OCCOCCOCCOCCOCCOCCOCCOCc2ccccc2)ccc1O
InChIInChI=1S/C36H58O9/c1-2-3-4-5-6-7-11-14-34-31-35(15-16-36(34)37)45-30-29-43-26-25-41-22-21-39-18-17-38-19-20-40-23-24-42-27-28-44-32-33-12-9-8-10-13-33/h8-10,12-13,15-16,31,37H,2-7,11,14,17-30,32H2,1H3
InChIKeyFQMFVLLOTWZHEL-UHFFFAOYSA-N
MW634.85 g/mol
LogP6.38
Rot. Bonds32

About 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol

2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol (PubChem CID 139748771) has the molecular formula C36H58O9 and a molecular weight of 634.85 g/mol. Its IUPAC name is 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol.

Molecular Properties

Compound Name2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
PubChem CID139748771
Molecular FormulaC36H58O9
Molecular Weight634.85 g/mol
Exact Mass634.41
IUPAC Name2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol
SMILESCCCCCCCCCc1cc(OCCOCCOCCOCCOCCOCCOCCOCc2ccccc2)ccc1O
InChIInChI=1S/C36H58O9/c1-2-3-4-5-6-7-11-14-34-31-35(15-16-36(34)37)45-30-29-43-26-25-41-22-21-39-18-17-38-19-20-40-23-24-42-27-28-44-32-33-12-9-8-10-13-33/h8-10,12-13,15-16,31,37H,2-7,11,14,17-30,32H2,1H3
InChIKeyFQMFVLLOTWZHEL-UHFFFAOYSA-N
XLogP6.38
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds32
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.85
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-2-octadecylphenol
CID 21499280
2-butyl-4-dodecoxyphenol
CID 70607238
2-[2-[2-[2-[2-[2-[2-(4-hydroxy-3-nonylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 139769952
2-benzyl-5-octoxyphenol
CID 143162484
5-(2-hexoxyethoxy)pentoxymethylbenzene
CID 160938924
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460
2-dodecoxyethoxymethylbenzene
CID 12857482
4-[2-(2-butoxyethoxy)ethoxymethyl]-5-octylbenzene-1,2-diol
CID 135213419
4-hexoxybenzene-1,2-diol
CID 23459322
2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 158816755
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;2-nonylphenol
CID 157250181

Frequently Asked Questions

What is the IUPAC name of 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The IUPAC name of 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol (CID 139748771) is 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol.
What is the SMILES notation for 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The canonical SMILES for 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol is CCCCCCCCCc1cc(OCCOCCOCCOCCOCCOCCOCCOCc2ccccc2)ccc1O.
What is the InChIKey of 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol?
The InChIKey is FQMFVLLOTWZHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H58O9/c1-2-3-4-5-6-7-11-14-34-31-35(15-16-36(34)37)45-30-29-43-26-25-41-22-21-39-18-17-38-19-20-40-23-24-42-27-28-44-32-33-12-9-8-10-13-33/h8-10,12-13,15-16,31,37H,2-7,11,14,17-30,32H2,1H3.
What are the key properties of 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol?
2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol has a molecular weight of 634.85 g/mol, XLogP of 6.38, 32 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonyl-4-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenol is sourced from PubChem (CID 139748771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).