2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde

C12H16O5 — CID 61269601

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOCCO)c1
InChIInChI=1S/C12H16O5/c1-15-11-3-2-10(9-14)12(8-11)17-7-6-16-5-4-13/h2-3,8-9,13H,4-7H2,1H3
InChIKeyINGBHWKNXHNHGM-UHFFFAOYSA-N
MW240.25 g/mol
LogP0.90
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde

2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde (PubChem CID 61269601) has the molecular formula C12H16O5 and a molecular weight of 240.25 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
PubChem CID61269601
Molecular FormulaC12H16O5
Molecular Weight240.25 g/mol
Exact Mass240.10
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCCOCCO)c1
InChIInChI=1S/C12H16O5/c1-15-11-3-2-10(9-14)12(8-11)17-7-6-16-5-4-13/h2-3,8-9,13H,4-7H2,1H3
InChIKeyINGBHWKNXHNHGM-UHFFFAOYSA-N
XLogP0.90
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.25
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-hydroxypentoxy)-4-methoxybenzaldehyde
CID 55053388
4-methoxy-2-[2-(3-methylbutoxy)ethoxy]benzaldehyde
CID 61060048
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
3-(2-formyl-5-methoxyphenoxy)propanamide
CID 61268492
2-[2-(2,5-dimethylphenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984839
2-[3-(dimethylamino)propoxy]-4-methoxybenzaldehyde
CID 22684190
2,4-bis[2-[2-(2-iodoethoxy)ethoxy]ethoxy]benzaldehyde
CID 71402775
2-(ethoxymethoxy)-4-methoxybenzaldehyde
CID 65369635
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
5-methoxy-2-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490800
ethyl 4-(2-formyl-5-methoxyphenoxy)butanoate
CID 146282312
2-(2-chloroprop-2-enoxy)-4-methoxybenzaldehyde
CID 60746518

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde (CID 61269601) is 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCCOCCO)c1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde?
The InChIKey is INGBHWKNXHNHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O5/c1-15-11-3-2-10(9-14)12(8-11)17-7-6-16-5-4-13/h2-3,8-9,13H,4-7H2,1H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde?
2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde has a molecular weight of 240.25 g/mol, XLogP of 0.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 61269601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).