6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol

C26H39NO4 — CID 145339754

IUPAC6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
SMILESCCNOCCCCCCOc1ccc(-c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C26H39NO4/c1-2-27-31-22-10-6-5-9-21-30-26-17-13-24(14-18-26)23-11-15-25(16-12-23)29-20-8-4-3-7-19-28/h11-18,27-28H,2-10,19-22H2,1H3
InChIKeyHKUYHMKWENMVGI-UHFFFAOYSA-N
MW429.60 g/mol
LogP5.77
Rot. Bonds18

About 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol

6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol (PubChem CID 145339754) has the molecular formula C26H39NO4 and a molecular weight of 429.60 g/mol. Its IUPAC name is 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol.

Molecular Properties

Compound Name6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
PubChem CID145339754
Molecular FormulaC26H39NO4
Molecular Weight429.60 g/mol
Exact Mass429.29
IUPAC Name6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol
SMILESCCNOCCCCCCOc1ccc(-c2ccc(OCCCCCCO)cc2)cc1
InChIInChI=1S/C26H39NO4/c1-2-27-31-22-10-6-5-9-21-30-26-17-13-24(14-18-26)23-11-15-25(16-12-23)29-20-8-4-3-7-19-28/h11-18,27-28H,2-10,19-22H2,1H3
InChIKeyHKUYHMKWENMVGI-UHFFFAOYSA-N
XLogP5.77
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.60
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

11-[4-[4-(11-hydroxyundecoxy)phenyl]phenoxy]undecan-1-ol
CID 15113939
4-[4-[4-(4-hydroxybutoxy)phenyl]phenoxy]butan-1-ol
CID 71340264
11-(4-methylphenoxy)undecan-1-ol
CID 67541960
9-(4-ethoxyphenoxy)nonan-1-ol
CID 138493488
5-(4-propoxyphenoxy)pentan-1-ol
CID 62227500
6-(4-pyridin-4-ylphenoxy)hexan-1-ol
CID 67931707
methyl acetate;6-(4-methylphenoxy)hexan-1-ol
CID 144725610
3-[4-[4-(6-hydroxyhexoxy)phenyl]phenoxy]propane-1-sulfonic acid
CID 58983737
1-heptoxy-4-(4-heptoxyphenyl)benzene
CID 53405189
1-hexadecoxy-4-(4-hexadecoxyphenyl)benzene
CID 100970451
4-[4-(8-hydroxyoctoxy)phenyl]benzaldehyde
CID 18979506
6-[2-(4-hexoxyphenyl)pyrimidin-5-yl]oxyhexan-1-ol
CID 18977783

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol?
The IUPAC name of 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol (CID 145339754) is 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol.
What is the SMILES notation for 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol?
The canonical SMILES for 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol is CCNOCCCCCCOc1ccc(-c2ccc(OCCCCCCO)cc2)cc1.
What is the InChIKey of 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol?
The InChIKey is HKUYHMKWENMVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39NO4/c1-2-27-31-22-10-6-5-9-21-30-26-17-13-24(14-18-26)23-11-15-25(16-12-23)29-20-8-4-3-7-19-28/h11-18,27-28H,2-10,19-22H2,1H3.
What are the key properties of 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol?
6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol has a molecular weight of 429.60 g/mol, XLogP of 5.77, 18 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-[6-(ethylaminooxy)hexoxy]phenyl]phenoxy]hexan-1-ol is sourced from PubChem (CID 145339754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).