3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde

C23H28O8 — CID 160989704

IUPAC3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(OCCOCCCCCOCCOc2cc(C=O)ccc2O)c1
InChIInChI=1S/C23H28O8/c24-16-18-4-6-20(26)22(14-18)30-12-10-28-8-2-1-3-9-29-11-13-31-23-15-19(17-25)5-7-21(23)27/h4-7,14-17,26-27H,1-3,8-13H2
InChIKeyUAMFXBCNYGAELC-UHFFFAOYSA-N
MW432.47 g/mol
LogP3.38
Rot. Bonds16

About 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde

3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde (PubChem CID 160989704) has the molecular formula C23H28O8 and a molecular weight of 432.47 g/mol. Its IUPAC name is 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
PubChem CID160989704
Molecular FormulaC23H28O8
Molecular Weight432.47 g/mol
Exact Mass432.18
IUPAC Name3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(OCCOCCCCCOCCOc2cc(C=O)ccc2O)c1
InChIInChI=1S/C23H28O8/c24-16-18-4-6-20(26)22(14-18)30-12-10-28-8-2-1-3-9-29-11-13-31-23-15-19(17-25)5-7-21(23)27/h4-7,14-17,26-27H,1-3,8-13H2
InChIKeyUAMFXBCNYGAELC-UHFFFAOYSA-N
XLogP3.38
TPSA111.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.47
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde;4-hydroxy-3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 160989703
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
3-hydroxy-4-octoxybenzaldehyde
CID 59691799
3-methoxy-4-[2-(3-methoxypropoxy)ethoxy]benzaldehyde
CID 103179915
4-[12-(4-formyl-2-methoxyphenoxy)dodecoxy]-3-methoxybenzaldehyde
CID 101048187
3,4-di(tetradecoxy)benzaldehyde
CID 23127451
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
3-[2-[2-(5-formyl-2-nitrophenoxy)ethoxy]ethoxy]-4-nitrobenzaldehyde
CID 102336547
3-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-4-(methylamino)benzaldehyde
CID 14942293
4-(8-hydroxyoctoxy)-3-methoxybenzaldehyde
CID 59839085
CID 130345281
CID 130345281
2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]terephthalaldehyde
CID 122546581

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde?
The IUPAC name of 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde (CID 160989704) is 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde.
What is the SMILES notation for 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde?
The canonical SMILES for 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde is O=Cc1ccc(O)c(OCCOCCCCCOCCOc2cc(C=O)ccc2O)c1.
What is the InChIKey of 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde?
The InChIKey is UAMFXBCNYGAELC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O8/c24-16-18-4-6-20(26)22(14-18)30-12-10-28-8-2-1-3-9-29-11-13-31-23-15-19(17-25)5-7-21(23)27/h4-7,14-17,26-27H,1-3,8-13H2.
What are the key properties of 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde?
3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde has a molecular weight of 432.47 g/mol, XLogP of 3.38, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-[2-(5-formyl-2-hydroxyphenoxy)ethoxy]pentoxy]ethoxy]-4-hydroxybenzaldehyde is sourced from PubChem (CID 160989704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).