3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde

C15H22O6 — CID 106990816

IUPAC3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde
SMILESCOCC(C)OCC(O)COc1cc(C=O)ccc1OC
InChIInChI=1S/C15H22O6/c1-11(8-18-2)20-9-13(17)10-21-15-6-12(7-16)4-5-14(15)19-3/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyGOJFGZCZUSNUTN-UHFFFAOYSA-N
MW298.33 g/mol
LogP1.30
Rot. Bonds10

About 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde

3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde (PubChem CID 106990816) has the molecular formula C15H22O6 and a molecular weight of 298.33 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde
PubChem CID106990816
Molecular FormulaC15H22O6
Molecular Weight298.33 g/mol
Exact Mass298.14
IUPAC Name3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde
SMILESCOCC(C)OCC(O)COc1cc(C=O)ccc1OC
InChIInChI=1S/C15H22O6/c1-11(8-18-2)20-9-13(17)10-21-15-6-12(7-16)4-5-14(15)19-3/h4-7,11,13,17H,8-10H2,1-3H3
InChIKeyGOJFGZCZUSNUTN-UHFFFAOYSA-N
XLogP1.30
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
CID 82849933
3-chloro-4-(2-hydroxy-3-methoxypropoxy)-5-methoxybenzaldehyde
CID 63930082
1-[4-chloro-2-(1-hydroxyethyl)phenoxy]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991081
3-(2-hydroxy-3-methoxypropoxy)-4-methoxybenzoic acid
CID 63928404
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406
4-[1-(2,3-dihydroxypropoxy)-2-oxoethoxy]-3-methoxybenzaldehyde
CID 175050526
3-[(2S)-butan-2-yl]oxy-4-methoxybenzaldehyde
CID 28744661
4-(2-hydroxy-2-phenylethoxy)-3-methoxybenzaldehyde
CID 60884383
3,5-dichloro-2-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]benzaldehyde
CID 106990833
4-(3-amino-3-hydroxypropoxy)-3-methoxybenzaldehyde
CID 174439542
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
CID 2947004
3-methoxy-4-[2-(2-methoxyphenoxy)ethoxy]benzaldehyde
CID 3738735

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde?
The IUPAC name of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde (CID 106990816) is 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde is COCC(C)OCC(O)COc1cc(C=O)ccc1OC.
What is the InChIKey of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde?
The InChIKey is GOJFGZCZUSNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O6/c1-11(8-18-2)20-9-13(17)10-21-15-6-12(7-16)4-5-14(15)19-3/h4-7,11,13,17H,8-10H2,1-3H3.
What are the key properties of 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde?
3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde has a molecular weight of 298.33 g/mol, XLogP of 1.30, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 106990816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).