2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde

C17H18O4 — CID 14688776

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
SMILESO=Cc1cccc(-c2ccccc2)c1OCCOCCO
InChIInChI=1S/C17H18O4/c18-9-10-20-11-12-21-17-15(13-19)7-4-8-16(17)14-5-2-1-3-6-14/h1-8,13,18H,9-12H2
InChIKeyXDYAKAQMELYFNP-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.55
Rot. Bonds8

About 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde

2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde (PubChem CID 14688776) has the molecular formula C17H18O4 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
PubChem CID14688776
Molecular FormulaC17H18O4
Molecular Weight286.33 g/mol
Exact Mass286.12
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
SMILESO=Cc1cccc(-c2ccccc2)c1OCCOCCO
InChIInChI=1S/C17H18O4/c18-9-10-20-11-12-21-17-15(13-19)7-4-8-16(17)14-5-2-1-3-6-14/h1-8,13,18H,9-12H2
InChIKeyXDYAKAQMELYFNP-UHFFFAOYSA-N
XLogP2.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-bromo-2-[2-(2-hydroxyethoxy)ethoxy]benzaldehyde
CID 61391298
2-hydroxy-3-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 15933584
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
3-[3-(2-hydroxyethoxy)-2-methylphenyl]-2-methylbenzaldehyde
CID 59544470
4-phenylnaphthalene-1-carbaldehyde
CID 15050889
2-(2-phenoxyethoxy)ethanol
CID 7715
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
CID 175290890
3-bromo-2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 104563415
(2-formyl-6-phenylphenyl) N-propan-2-ylcarbamate
CID 11694852
2-phenylmethoxy-3-pyrimidin-5-ylbenzaldehyde
CID 171037619
2-(2-phenoxyethoxy)ethanol;hydrate
CID 176895463
2-[2-[3-[3-[2-(2-hydroxyethoxy)ethoxy]phenyl]phenoxy]ethoxy]ethanol
CID 102155693

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde (CID 14688776) is 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde is O=Cc1cccc(-c2ccccc2)c1OCCOCCO.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde?
The InChIKey is XDYAKAQMELYFNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4/c18-9-10-20-11-12-21-17-15(13-19)7-4-8-16(17)14-5-2-1-3-6-14/h1-8,13,18H,9-12H2.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde?
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde has a molecular weight of 286.33 g/mol, XLogP of 2.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde is sourced from PubChem (CID 14688776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).