2-ethoxy-6-heptadecylphenol

C25H44O2 — CID 10499794

IUPAC2-ethoxy-6-heptadecylphenol
SMILESCCCCCCCCCCCCCCCCCc1cccc(OCC)c1O
InChIInChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(25(23)26)27-4-2/h19,21-22,26H,3-18,20H2,1-2H3
InChIKeyIOFGQHIPBDZRNU-UHFFFAOYSA-N
MW376.63 g/mol
LogP8.20
Rot. Bonds18

About 2-ethoxy-6-heptadecylphenol

2-ethoxy-6-heptadecylphenol (PubChem CID 10499794) has the molecular formula C25H44O2 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-ethoxy-6-heptadecylphenol.

Molecular Properties

Compound Name2-ethoxy-6-heptadecylphenol
PubChem CID10499794
Molecular FormulaC25H44O2
Molecular Weight376.63 g/mol
Exact Mass376.33
IUPAC Name2-ethoxy-6-heptadecylphenol
SMILESCCCCCCCCCCCCCCCCCc1cccc(OCC)c1O
InChIInChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(25(23)26)27-4-2/h19,21-22,26H,3-18,20H2,1-2H3
InChIKeyIOFGQHIPBDZRNU-UHFFFAOYSA-N
XLogP8.20
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.63
LogP ≤ 58.20
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

2-heptadecyl-6-methoxyphenol
CID 10713705
2-ethoxy-6-(3-sulfanylpropyl)phenol
CID 83930701
1-decyl-2-ethoxybenzene
CID 175243335
2-butyl-6-(3-butyl-2-hydroxyphenoxy)phenol
CID 171777158
2-heptadecyl-6-[(3-heptadecyl-2-hydroxyphenyl)methyl]phenol
CID 101275914
2-dodecyl-6-[(3-dodecyl-2-hydroxyphenyl)methyl]phenol
CID 12617723
2-methyl-6-undecylphenol
CID 174998801
2,6-di(nonoxy)phenol
CID 22024876
2,6-diheptoxyphenol
CID 57426104
2-[(2-hydroxy-3-pentylphenyl)methyl]-6-pentylphenol
CID 101275830
[3-(8-hexoxyoctyl)-2-hydroxyphenyl] hydrogen carbonate
CID 69499033
ethoxyethane;2-octylphenol
CID 66605620

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-heptadecylphenol?
The IUPAC name of 2-ethoxy-6-heptadecylphenol (CID 10499794) is 2-ethoxy-6-heptadecylphenol.
What is the SMILES notation for 2-ethoxy-6-heptadecylphenol?
The canonical SMILES for 2-ethoxy-6-heptadecylphenol is CCCCCCCCCCCCCCCCCc1cccc(OCC)c1O.
What is the InChIKey of 2-ethoxy-6-heptadecylphenol?
The InChIKey is IOFGQHIPBDZRNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-23-21-19-22-24(25(23)26)27-4-2/h19,21-22,26H,3-18,20H2,1-2H3.
What are the key properties of 2-ethoxy-6-heptadecylphenol?
2-ethoxy-6-heptadecylphenol has a molecular weight of 376.63 g/mol, XLogP of 8.20, 18 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-heptadecylphenol is sourced from PubChem (CID 10499794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).