3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde

C11H14O5 — CID 82849933

IUPAC3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCC(O)CO
InChIInChI=1S/C11H14O5/c1-15-10-3-2-8(5-12)4-11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3
InChIKeyQCGYVTIPQUORIY-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.24
Rot. Bonds6

About 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde

3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde (PubChem CID 82849933) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
PubChem CID82849933
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)cc1OCC(O)CO
InChIInChI=1S/C11H14O5/c1-15-10-3-2-8(5-12)4-11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3
InChIKeyQCGYVTIPQUORIY-UHFFFAOYSA-N
XLogP0.24
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-hydroxy-3-(1-methoxypropan-2-yloxy)propoxy]-4-methoxybenzaldehyde
CID 106990816
4-[1-(2,3-dihydroxypropoxy)-2-oxoethoxy]-3-methoxybenzaldehyde
CID 175050526
4-hydroxy-3-methoxybenzaldehyde;propane-1,2,3-triol
CID 138752381
3-[2-methoxy-4-[(Z)-prop-1-enyl]phenoxy]propane-1,2-diol
CID 20839076
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
4-(2-hydroxy-2-phenylethoxy)-3-methoxybenzaldehyde
CID 60884383
4-(3-carbazol-9-yl-2-hydroxypropoxy)-3-methoxybenzaldehyde
CID 2947004
(2R)-3-(2-methoxy-4-methylphenoxy)propane-1,2-diol
CID 58551347
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-(3-hydroxypentoxy)-3-methoxybenzaldehyde
CID 174669406
3-(4-amino-2-methoxyphenoxy)propane-1,2-diol
CID 82842415
(5-formyl-2-methoxyphenyl) 2-chloroacetate
CID 592476

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde?
The IUPAC name of 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde (CID 82849933) is 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde is COc1ccc(C=O)cc1OCC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde?
The InChIKey is QCGYVTIPQUORIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-10-3-2-8(5-12)4-11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3.
What are the key properties of 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde?
3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde has a molecular weight of 226.23 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)-4-methoxybenzaldehyde is sourced from PubChem (CID 82849933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).