3-[2,4,6-tris(methoxymethoxy)phenyl]propanal

C15H22O7 — CID 129220874

IUPAC3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
SMILESCOCOc1cc(OCOC)c(CCC=O)c(OCOC)c1
InChIInChI=1S/C15H22O7/c1-17-9-20-12-7-14(21-10-18-2)13(5-4-6-16)15(8-12)22-11-19-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyIIQQNBISDGAQIX-UHFFFAOYSA-N
MW314.33 g/mol
LogP1.77
Rot. Bonds12

About 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal

3-[2,4,6-tris(methoxymethoxy)phenyl]propanal (PubChem CID 129220874) has the molecular formula C15H22O7 and a molecular weight of 314.33 g/mol. Its IUPAC name is 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal.

Molecular Properties

Compound Name3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
PubChem CID129220874
Molecular FormulaC15H22O7
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name3-[2,4,6-tris(methoxymethoxy)phenyl]propanal
SMILESCOCOc1cc(OCOC)c(CCC=O)c(OCOC)c1
InChIInChI=1S/C15H22O7/c1-17-9-20-12-7-14(21-10-18-2)13(5-4-6-16)15(8-12)22-11-19-3/h6-8H,4-5,9-11H2,1-3H3
InChIKeyIIQQNBISDGAQIX-UHFFFAOYSA-N
XLogP1.77
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[2,4,6-tris(methoxymethoxy)phenyl]ethanone
CID 10935461
1-[2-hydroxy-6-methoxy-4-(methoxymethoxy)phenyl]ethanone
CID 11195478
3-[2,4-dimethoxy-6-(methoxymethyl)phenyl]propanal
CID 117349022
1,3-dimethoxy-5-(methoxymethoxy)benzene
CID 11194953
2-(methoxymethoxy)-4-(trifluoromethoxy)benzaldehyde
CID 53465447
methyl 2,4-bis(methoxymethoxy)-6-methylbenzoate
CID 59467126
methyl 2-methoxy-4-(methoxymethoxy)-6-pent-4-enylbenzoate
CID 135024938
2-[2,4-bis(methoxymethoxy)phenyl]ethanol
CID 175027398
(E)-1-[2-methoxy-4,6-bis(methoxymethoxy)phenyl]-3-(4-methoxyphenyl)prop-2-en-1-one
CID 58379473
3,4-bis(methoxymethoxy)benzaldehyde
CID 11746314
1,4-bis(methoxymethoxy)benzene
CID 542643
1,3-bis(methoxymethoxy)-5-methyl-2-prop-2-enylbenzene
CID 86078751

Frequently Asked Questions

What is the IUPAC name of 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal?
The IUPAC name of 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal (CID 129220874) is 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal.
What is the SMILES notation for 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal?
The canonical SMILES for 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal is COCOc1cc(OCOC)c(CCC=O)c(OCOC)c1.
What is the InChIKey of 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal?
The InChIKey is IIQQNBISDGAQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O7/c1-17-9-20-12-7-14(21-10-18-2)13(5-4-6-16)15(8-12)22-11-19-3/h6-8H,4-5,9-11H2,1-3H3.
What are the key properties of 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal?
3-[2,4,6-tris(methoxymethoxy)phenyl]propanal has a molecular weight of 314.33 g/mol, XLogP of 1.77, 12 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,4,6-tris(methoxymethoxy)phenyl]propanal is sourced from PubChem (CID 129220874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).