2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde

C13H18O6 — CID 15933584

IUPAC2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1cccc(OCCOCCOCCO)c1O
InChIInChI=1S/C13H18O6/c14-4-5-17-6-7-18-8-9-19-12-3-1-2-11(10-15)13(12)16/h1-3,10,14,16H,4-9H2
InChIKeyNVGKWURARQNZGD-UHFFFAOYSA-N
MW270.28 g/mol
LogP0.61
Rot. Bonds10

About 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde

2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde (PubChem CID 15933584) has the molecular formula C13H18O6 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
PubChem CID15933584
Molecular FormulaC13H18O6
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
SMILESO=Cc1cccc(OCCOCCOCCO)c1O
InChIInChI=1S/C13H18O6/c14-4-5-17-6-7-18-8-9-19-12-3-1-2-11(10-15)13(12)16/h1-3,10,14,16H,4-9H2
InChIKeyNVGKWURARQNZGD-UHFFFAOYSA-N
XLogP0.61
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-3-[2-[2-[2-[2-hydroxy-3-(hydroxymethyl)phenoxy]ethylamino]ethoxy]ethoxy]benzaldehyde
CID 163969867
3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
CID 61391298
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-[2-[2-[4-[2-[2-(2-formylphenoxy)ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenoxy]ethoxy]ethoxy]benzaldehyde
CID 11389108
2-[[4,5-bis[2-(2-hydroxyethoxy)ethoxy]-2-[(2-hydroxy-3-methoxyphenyl)methylideneamino]phenyl]iminomethyl]-6-methoxyphenol;europium(3+)
CID 140556770
2-(4-hydroxybutoxy)benzaldehyde
CID 60773519
2-hydroxy-3-[(4-methylphenyl)methoxy]benzaldehyde
CID 143713243
3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
CID 59544470
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
CID 61269601
6-[2-(2-hydroxyethoxy)ethoxy]-1,3-benzodioxole-5-carbaldehyde
CID 55011970
2-(2,3-diformylphenoxy)-N-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl]acetamide
CID 178004235

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde?
The IUPAC name of 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde (CID 15933584) is 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde is O=Cc1cccc(OCCOCCOCCO)c1O.
What is the InChIKey of 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde?
The InChIKey is NVGKWURARQNZGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O6/c14-4-5-17-6-7-18-8-9-19-12-3-1-2-11(10-15)13(12)16/h1-3,10,14,16H,4-9H2.
What are the key properties of 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde?
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde has a molecular weight of 270.28 g/mol, XLogP of 0.61, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde is sourced from PubChem (CID 15933584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).