2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde

C21H29NO5 — CID 175290890

IUPAC2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
SMILESNCCOCCOCCOCCO.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C8H19NO4/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H;10H,1-9H2
InChIKeyDSRYAARTGKWDAF-UHFFFAOYSA-N
MW375.47 g/mol
LogP2.15
Rot. Bonds12

About 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde

2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde (PubChem CID 175290890) has the molecular formula C21H29NO5 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde.

Molecular Properties

Compound Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
PubChem CID175290890
Molecular FormulaC21H29NO5
Molecular Weight375.47 g/mol
Exact Mass375.20
IUPAC Name2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde
SMILESNCCOCCOCCOCCO.O=Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C13H10O.C8H19NO4/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H;10H,1-9H2
InChIKeyDSRYAARTGKWDAF-UHFFFAOYSA-N
XLogP2.15
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 52.15
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

4-formylbenzoic acid;2-(2-hydroxyethoxy)ethanol
CID 175368400
4-phenylbenzaldehyde;2-phenylethanamine
CID 23291840
4-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,2-diphenylethenyl]phenyl]benzaldehyde
CID 141459269
4-[4-(N-[4-(2-hydroxyethoxy)phenyl]anilino)phenyl]benzaldehyde
CID 20580224
benzaldehyde;2-[2-[2-[2-(butylamino)ethoxy]ethoxy]ethoxy]ethanol
CID 87586745
2-[2-(2-hydroxyethoxy)ethoxy]-3-phenylbenzaldehyde
CID 14688776
[2-oxo-2-(4-phenylphenyl)ethyl] 4-formylbenzoate
CID 2505227
2-(2-hydroxyethoxy)ethanol;toluene
CID 157148794
4-[2-(4-phenylphenyl)ethynyl]benzaldehyde
CID 11358016
4-[4-(2-phenylethynyl)phenyl]benzaldehyde
CID 22353114
2-[2-[3-[2-(2-aminoethoxy)ethoxy]propoxy]ethoxy]ethanol
CID 142386297
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(4-formylbenzoyl)oxyethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-formylbenzoate
CID 57408109

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde?
The IUPAC name of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde (CID 175290890) is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde.
What is the SMILES notation for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde?
The canonical SMILES for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde is NCCOCCOCCOCCO.O=Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde?
The InChIKey is DSRYAARTGKWDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O.C8H19NO4/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12;9-1-3-11-5-7-13-8-6-12-4-2-10/h1-10H;10H,1-9H2.
What are the key properties of 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde?
2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde has a molecular weight of 375.47 g/mol, XLogP of 2.15, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol;4-phenylbenzaldehyde is sourced from PubChem (CID 175290890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).