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

C11H14O5 — CID 82850307

IUPAC2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCC(O)CO
InChIInChI=1S/C11H14O5/c1-15-10-4-2-3-8(5-12)11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3
InChIKeyWTNSVFXGSNPXEH-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.24
Rot. Bonds6

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

2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde (PubChem CID 82850307) has the molecular formula C11H14O5 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
PubChem CID82850307
Molecular FormulaC11H14O5
Molecular Weight226.23 g/mol
Exact Mass226.08
IUPAC Name2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde
SMILESCOc1cccc(C=O)c1OCC(O)CO
InChIInChI=1S/C11H14O5/c1-15-10-4-2-3-8(5-12)11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3
InChIKeyWTNSVFXGSNPXEH-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'}

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Related Compounds

(2R)-3-(2-chloro-6-methoxyphenoxy)propane-1,2-diol
CID 141307295
3-methoxy-2-(2-methylpentoxy)benzaldehyde
CID 62265011
3-methoxy-2-(methoxymethoxy)benzaldehyde
CID 11644081
2-(2-formyl-6-methoxyphenoxy)acetic acid
CID 737589
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
2-(2-formyl-6-methoxyphenoxy)acetate
CID 6933847
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-(2-fluoroethoxy)-3-methoxybenzaldehyde
CID 80693762
3-methoxy-2-(pyrimidin-2-ylmethoxy)benzaldehyde
CID 62699930
2-buta-2,3-dienoxy-3-methoxybenzaldehyde
CID 25034027
3-fluoro-2-(2-hydroxybutoxy)benzaldehyde
CID 112611734
2-(2-iminopropoxy)-3-methoxybenzaldehyde
CID 134433830

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde?
The IUPAC name of 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde (CID 82850307) is 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde.
What is the SMILES notation for 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde?
The canonical SMILES for 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde is COc1cccc(C=O)c1OCC(O)CO.
What is the InChIKey of 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde?
The InChIKey is WTNSVFXGSNPXEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O5/c1-15-10-4-2-3-8(5-12)11(10)16-7-9(14)6-13/h2-5,9,13-14H,6-7H2,1H3.
What are the key properties of 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde?
2-(2,3-dihydroxypropoxy)-3-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 2-(2,3-dihydroxypropoxy)-3-methoxybenzaldehyde is sourced from PubChem (CID 82850307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).