2-(2-hydroxy-3-methoxyphenyl)propanal

C10H12O3 — CID 83828156

IUPAC2-(2-hydroxy-3-methoxyphenyl)propanal
SMILESCOc1cccc(C(C)C=O)c1O
InChIInChI=1S/C10H12O3/c1-7(6-11)8-4-3-5-9(13-2)10(8)12/h3-7,12H,1-2H3
InChIKeyLCRQTWWGZBWHPV-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.70
Rot. Bonds3

About 2-(2-hydroxy-3-methoxyphenyl)propanal

2-(2-hydroxy-3-methoxyphenyl)propanal (PubChem CID 83828156) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 2-(2-hydroxy-3-methoxyphenyl)propanal.

Molecular Properties

Compound Name2-(2-hydroxy-3-methoxyphenyl)propanal
PubChem CID83828156
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name2-(2-hydroxy-3-methoxyphenyl)propanal
SMILESCOc1cccc(C(C)C=O)c1O
InChIInChI=1S/C10H12O3/c1-7(6-11)8-4-3-5-9(13-2)10(8)12/h3-7,12H,1-2H3
InChIKeyLCRQTWWGZBWHPV-UHFFFAOYSA-N
XLogP1.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxy-3-methoxyphenyl)butanal
CID 83830642
2-(3-methoxy-2-nitrophenyl)propanal
CID 134639975
3-(3,4-dimethoxyphenyl)-2-(2-hydroxy-3-methoxyphenyl)-3-oxopropanal
CID 10860483
2-(2,5-dimethoxyphenyl)propanal
CID 596766
2-hydroxy-3-methoxybenzaldehyde
CID 8991
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
CID 83909620
2-hydroxy-3-methoxybenzaldehyde;methane
CID 165075137
copper;bis(2-hydroxy-3-methoxybenzaldehyde)
CID 50897387
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
CID 112718404
2-(2,4,5-trimethoxyphenyl)propanal
CID 46896304

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)propanal?
The IUPAC name of 2-(2-hydroxy-3-methoxyphenyl)propanal (CID 83828156) is 2-(2-hydroxy-3-methoxyphenyl)propanal.
What is the SMILES notation for 2-(2-hydroxy-3-methoxyphenyl)propanal?
The canonical SMILES for 2-(2-hydroxy-3-methoxyphenyl)propanal is COc1cccc(C(C)C=O)c1O.
What is the InChIKey of 2-(2-hydroxy-3-methoxyphenyl)propanal?
The InChIKey is LCRQTWWGZBWHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-7(6-11)8-4-3-5-9(13-2)10(8)12/h3-7,12H,1-2H3.
What are the key properties of 2-(2-hydroxy-3-methoxyphenyl)propanal?
2-(2-hydroxy-3-methoxyphenyl)propanal has a molecular weight of 180.20 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-3-methoxyphenyl)propanal is sourced from PubChem (CID 83828156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).