3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol

C16H26O8 — CID 89081672

IUPAC3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol
SMILESCCOCOc1cc(CO)cc(O)c1OCCOCCOCOC
InChIInChI=1S/C16H26O8/c1-3-20-12-24-15-9-13(10-17)8-14(18)16(15)23-7-6-21-4-5-22-11-19-2/h8-9,17-18H,3-7,10-12H2,1-2H3
InChIKeyQUHRULBBAAENDD-UHFFFAOYSA-N
MW346.38 g/mol
LogP1.27
Rot. Bonds14

About 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol

3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol (PubChem CID 89081672) has the molecular formula C16H26O8 and a molecular weight of 346.38 g/mol. Its IUPAC name is 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol.

Molecular Properties

Compound Name3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol
PubChem CID89081672
Molecular FormulaC16H26O8
Molecular Weight346.38 g/mol
Exact Mass346.16
IUPAC Name3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol
SMILESCCOCOc1cc(CO)cc(O)c1OCCOCCOCOC
InChIInChI=1S/C16H26O8/c1-3-20-12-24-15-9-13(10-17)8-14(18)16(15)23-7-6-21-4-5-22-11-19-2/h8-9,17-18H,3-7,10-12H2,1-2H3
InChIKeyQUHRULBBAAENDD-UHFFFAOYSA-N
XLogP1.27
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

N-[[3,4,5-tris[2-[2-(ethoxymethoxy)ethoxy]ethoxy]phenyl]methyl]ethanamine
CID 175125117
[3-ethoxy-4-(4-fluorophenyl)-5-(2-methoxyethoxymethoxy)phenyl]methanol
CID 118898131
[3-chloro-5-methoxy-4-(2-methoxyethoxy)phenyl]methanol
CID 28898258
[3-bromo-5-ethoxy-4-[2-(2-methylpropoxy)ethoxy]phenyl]methanol
CID 106453726
[3-ethoxy-4-(methoxymethoxy)phenyl]methanol
CID 65364627
[4-(ethoxymethoxy)-3-fluorophenyl]methanol
CID 107690890
[4-(2-butoxyethoxy)-3,5-dimethylphenyl]methanol
CID 54956081
3-hydroxy-5-(hydroxymethyl)-2-methoxybenzonitrile
CID 117277913
[3,5-bis[[3,5-bis[[3,5-bis(2-methoxyethoxymethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanol
CID 10796614
[3-chloro-5-methoxy-4-(4-methoxybutoxy)phenyl]methanol
CID 113436945
(3-bromo-4-butoxy-5-ethoxyphenyl)methanol
CID 43627133
(4-heptoxy-3,5-dimethoxyphenyl)methanol
CID 43516772

Frequently Asked Questions

What is the IUPAC name of 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol?
The IUPAC name of 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol (CID 89081672) is 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol.
What is the SMILES notation for 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol?
The canonical SMILES for 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol is CCOCOc1cc(CO)cc(O)c1OCCOCCOCOC.
What is the InChIKey of 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol?
The InChIKey is QUHRULBBAAENDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O8/c1-3-20-12-24-15-9-13(10-17)8-14(18)16(15)23-7-6-21-4-5-22-11-19-2/h8-9,17-18H,3-7,10-12H2,1-2H3.
What are the key properties of 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol?
3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol has a molecular weight of 346.38 g/mol, XLogP of 1.27, 14 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethoxymethoxy)-5-(hydroxymethyl)-2-[2-[2-(methoxymethoxy)ethoxy]ethoxy]phenol is sourced from PubChem (CID 89081672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).