3-ethoxy-5-octadecylphenol

C26H46O2 — CID 118876083

IUPAC3-ethoxy-5-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(O)cc(OCC)c1
InChIInChI=1S/C26H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(22-24)28-4-2/h21-23,27H,3-20H2,1-2H3
InChIKeyKDOANXKLJUQSMH-UHFFFAOYSA-N
MW390.65 g/mol
LogP8.59
Rot. Bonds19

About 3-ethoxy-5-octadecylphenol

3-ethoxy-5-octadecylphenol (PubChem CID 118876083) has the molecular formula C26H46O2 and a molecular weight of 390.65 g/mol. Its IUPAC name is 3-ethoxy-5-octadecylphenol.

Molecular Properties

Compound Name3-ethoxy-5-octadecylphenol
PubChem CID118876083
Molecular FormulaC26H46O2
Molecular Weight390.65 g/mol
Exact Mass390.35
IUPAC Name3-ethoxy-5-octadecylphenol
SMILESCCCCCCCCCCCCCCCCCCc1cc(O)cc(OCC)c1
InChIInChI=1S/C26H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(22-24)28-4-2/h21-23,27H,3-20H2,1-2H3
InChIKeyKDOANXKLJUQSMH-UHFFFAOYSA-N
XLogP8.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.65
LogP ≤ 58.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-hydroxy-5-pentylphenoxy)-5-pentylphenol
CID 22559423
5-pentacosylbenzene-1,3-diol
CID 159617875
5-icosylbenzene-1,3-diol
CID 15775324
CID 175718629
CID 175718629
1,3-dimethoxy-5-pentylbenzene;5-pentylbenzene-1,3-diol
CID 162222442
3-butyl-5-methoxyphenol
CID 12836529
3-(hydroxymethyl)-5-octoxyphenol
CID 59029723
3-ethyl-5-pentylphenol
CID 130224031
3,5-dibutylphenol
CID 15936149
cyclopropanamine;11-(3-hydroxy-5-pentylphenoxy)undecanoic acid
CID 69037430
1-butyl-3,5-di(undecoxy)benzene
CID 173166651
1-butyl-3,5-diheptoxybenzene
CID 91325989

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-5-octadecylphenol?
The IUPAC name of 3-ethoxy-5-octadecylphenol (CID 118876083) is 3-ethoxy-5-octadecylphenol.
What is the SMILES notation for 3-ethoxy-5-octadecylphenol?
The canonical SMILES for 3-ethoxy-5-octadecylphenol is CCCCCCCCCCCCCCCCCCc1cc(O)cc(OCC)c1.
What is the InChIKey of 3-ethoxy-5-octadecylphenol?
The InChIKey is KDOANXKLJUQSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-21-25(27)23-26(22-24)28-4-2/h21-23,27H,3-20H2,1-2H3.
What are the key properties of 3-ethoxy-5-octadecylphenol?
3-ethoxy-5-octadecylphenol has a molecular weight of 390.65 g/mol, XLogP of 8.59, 19 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-5-octadecylphenol is sourced from PubChem (CID 118876083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).