2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde

C24H28O6 — CID 87795806

IUPAC2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde
SMILESO=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C24H28O6/c25-16-21(17-7-9-18(10-8-17)29-23-5-1-3-13-27-23)20-12-11-19(15-22(20)26)30-24-6-2-4-14-28-24/h7-12,15-16,21,23-24,26H,1-6,13-14H2
InChIKeyKPPGZLGPSKWVGO-UHFFFAOYSA-N
MW412.48 g/mol
LogP4.53
Rot. Bonds7

About 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde

2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde (PubChem CID 87795806) has the molecular formula C24H28O6 and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde.

Molecular Properties

Compound Name2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde
PubChem CID87795806
Molecular FormulaC24H28O6
Molecular Weight412.48 g/mol
Exact Mass412.19
IUPAC Name2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde
SMILESO=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O
InChIInChI=1S/C24H28O6/c25-16-21(17-7-9-18(10-8-17)29-23-5-1-3-13-27-23)20-12-11-19(15-22(20)26)30-24-6-2-4-14-28-24/h7-12,15-16,21,23-24,26H,1-6,13-14H2
InChIKeyKPPGZLGPSKWVGO-UHFFFAOYSA-N
XLogP4.53
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde?
The IUPAC name of 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde (CID 87795806) is 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde.
What is the SMILES notation for 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde?
The canonical SMILES for 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde is O=CC(c1ccc(OC2CCCCO2)cc1)c1ccc(OC2CCCCO2)cc1O.
What is the InChIKey of 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde?
The InChIKey is KPPGZLGPSKWVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O6/c25-16-21(17-7-9-18(10-8-17)29-23-5-1-3-13-27-23)20-12-11-19(15-22(20)26)30-24-6-2-4-14-28-24/h7-12,15-16,21,23-24,26H,1-6,13-14H2.
What are the key properties of 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde?
2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde has a molecular weight of 412.48 g/mol, XLogP of 4.53, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-4-(oxan-2-yloxy)phenyl]-2-[4-(oxan-2-yloxy)phenyl]acetaldehyde is sourced from PubChem (CID 87795806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).