1-(1-phenoxynonoxy)ethanol

C17H28O3 — CID 70629643

IUPAC1-(1-phenoxynonoxy)ethanol
SMILESCCCCCCCCC(Oc1ccccc1)OC(C)O
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-11-14-17(19-15(2)18)20-16-12-9-8-10-13-16/h8-10,12-13,15,17-18H,3-7,11,14H2,1-2H3
InChIKeyMQWFTPSALPGMOK-UHFFFAOYSA-N
MW280.41 g/mol
LogP4.50
Rot. Bonds11

About 1-(1-phenoxynonoxy)ethanol

1-(1-phenoxynonoxy)ethanol (PubChem CID 70629643) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is 1-(1-phenoxynonoxy)ethanol.

Molecular Properties

Compound Name1-(1-phenoxynonoxy)ethanol
PubChem CID70629643
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Name1-(1-phenoxynonoxy)ethanol
SMILESCCCCCCCCC(Oc1ccccc1)OC(C)O
InChIInChI=1S/C17H28O3/c1-3-4-5-6-7-11-14-17(19-15(2)18)20-16-12-9-8-10-13-16/h8-10,12-13,15,17-18H,3-7,11,14H2,1-2H3
InChIKeyMQWFTPSALPGMOK-UHFFFAOYSA-N
XLogP4.50
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-methoxydecoxybenzene
CID 24977925
1-(2-phenoxydecoxy)ethanol
CID 69066857
1-phenoxyhexadecan-1-ol
CID 140512988
decan-2-yloxybenzene
CID 12838331
tetracosan-8-yloxybenzene
CID 154135377
undecan-6-yloxybenzene
CID 130316504
bis(2-hydroxyethanesulfonic acid);1-phenoxyhexoxybenzene
CID 175862088
1-phenoxytetradecan-2-ol
CID 11609222
2-phenoxynonanenitrile
CID 68573362
2-phenoxyhexadecanethioic S-acid
CID 142789333
potassium 2-phenoxyundecanoate
CID 70350230
1-phenoxypentadecylphosphonic acid
CID 118692933

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenoxynonoxy)ethanol?
The IUPAC name of 1-(1-phenoxynonoxy)ethanol (CID 70629643) is 1-(1-phenoxynonoxy)ethanol.
What is the SMILES notation for 1-(1-phenoxynonoxy)ethanol?
The canonical SMILES for 1-(1-phenoxynonoxy)ethanol is CCCCCCCCC(Oc1ccccc1)OC(C)O.
What is the InChIKey of 1-(1-phenoxynonoxy)ethanol?
The InChIKey is MQWFTPSALPGMOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O3/c1-3-4-5-6-7-11-14-17(19-15(2)18)20-16-12-9-8-10-13-16/h8-10,12-13,15,17-18H,3-7,11,14H2,1-2H3.
What are the key properties of 1-(1-phenoxynonoxy)ethanol?
1-(1-phenoxynonoxy)ethanol has a molecular weight of 280.41 g/mol, XLogP of 4.50, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenoxynonoxy)ethanol is sourced from PubChem (CID 70629643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).