2,6-di(nonoxy)phenol

C24H42O3 — CID 22024876

IUPAC2,6-di(nonoxy)phenol
SMILESCCCCCCCCCOc1cccc(OCCCCCCCCC)c1O
InChIInChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-20-26-22-18-17-19-23(24(22)25)27-21-16-14-12-10-8-6-4-2/h17-19,25H,3-16,20-21H2,1-2H3
InChIKeyFDRAUDOFYWCVRZ-UHFFFAOYSA-N
MW378.60 g/mol
LogP7.65
Rot. Bonds18

About 2,6-di(nonoxy)phenol

2,6-di(nonoxy)phenol (PubChem CID 22024876) has the molecular formula C24H42O3 and a molecular weight of 378.60 g/mol. Its IUPAC name is 2,6-di(nonoxy)phenol.

Molecular Properties

Compound Name2,6-di(nonoxy)phenol
PubChem CID22024876
Molecular FormulaC24H42O3
Molecular Weight378.60 g/mol
Exact Mass378.31
IUPAC Name2,6-di(nonoxy)phenol
SMILESCCCCCCCCCOc1cccc(OCCCCCCCCC)c1O
InChIInChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-20-26-22-18-17-19-23(24(22)25)27-21-16-14-12-10-8-6-4-2/h17-19,25H,3-16,20-21H2,1-2H3
InChIKeyFDRAUDOFYWCVRZ-UHFFFAOYSA-N
XLogP7.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 57.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,6-diheptoxyphenol
CID 57426104
3-tetradecoxybenzene-1,2-diol
CID 152769078
2-tridecoxyphenol
CID 67178320
2-hydroxy-3-triacontoxybenzoic acid
CID 70421879
benzene-1,2-diol;2-hexoxyphenol
CID 70150520
2-ethyl-3-hexoxyphenol
CID 118561746
1,2,3-tridodecoxybenzene
CID 11308140
1,2,3-trihexadecoxybenzene
CID 15518170
cobalt;bis(2-decoxyphenol);dihydrate
CID 70521593
2,3-dipentoxyphenol
CID 57426098
(2-hydroxy-3-octoxyphenyl)-(2-hydroxyphenyl)methanone
CID 70363283
5-pentoxynaphthalen-1-ol
CID 67823980

Frequently Asked Questions

What is the IUPAC name of 2,6-di(nonoxy)phenol?
The IUPAC name of 2,6-di(nonoxy)phenol (CID 22024876) is 2,6-di(nonoxy)phenol.
What is the SMILES notation for 2,6-di(nonoxy)phenol?
The canonical SMILES for 2,6-di(nonoxy)phenol is CCCCCCCCCOc1cccc(OCCCCCCCCC)c1O.
What is the InChIKey of 2,6-di(nonoxy)phenol?
The InChIKey is FDRAUDOFYWCVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42O3/c1-3-5-7-9-11-13-15-20-26-22-18-17-19-23(24(22)25)27-21-16-14-12-10-8-6-4-2/h17-19,25H,3-16,20-21H2,1-2H3.
What are the key properties of 2,6-di(nonoxy)phenol?
2,6-di(nonoxy)phenol has a molecular weight of 378.60 g/mol, XLogP of 7.65, 18 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-di(nonoxy)phenol is sourced from PubChem (CID 22024876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).