3-(2-hydroxy-3-methoxyphenyl)butanal

C11H14O3 — CID 83830642

IUPAC3-(2-hydroxy-3-methoxyphenyl)butanal
SMILESCOc1cccc(C(C)CC=O)c1O
InChIInChI=1S/C11H14O3/c1-8(6-7-12)9-4-3-5-10(14-2)11(9)13/h3-5,7-8,13H,6H2,1-2H3
InChIKeyGOMVRNCNYLEJBQ-UHFFFAOYSA-N
MW194.23 g/mol
LogP2.09
Rot. Bonds4

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

3-(2-hydroxy-3-methoxyphenyl)butanal (PubChem CID 83830642) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-hydroxy-3-methoxyphenyl)butanal.

Molecular Properties

Compound Name3-(2-hydroxy-3-methoxyphenyl)butanal
PubChem CID83830642
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-hydroxy-3-methoxyphenyl)butanal
SMILESCOc1cccc(C(C)CC=O)c1O
InChIInChI=1S/C11H14O3/c1-8(6-7-12)9-4-3-5-10(14-2)11(9)13/h3-5,7-8,13H,6H2,1-2H3
InChIKeyGOMVRNCNYLEJBQ-UHFFFAOYSA-N
XLogP2.09
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 52.09
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-bromo-3-methoxyphenyl)butanal
CID 117395551
2-(2-hydroxy-3-methoxyphenyl)propanal
CID 83828156
3-(5-ethyl-2-hydroxy-3-methoxyphenyl)butanal
CID 117318165
5-(2-hydroxy-3-methoxyphenyl)hexane-2,3-diol
CID 112718404
3-(4-hydroxy-5-methoxy-2,3-dimethylphenyl)butanal
CID 117318153
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
3-(5-bromo-2-methoxyphenyl)butanal
CID 83844200
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
3-[3-(difluoromethyl)-2-methoxyphenyl]butanal
CID 117328540
3-(5-chloro-2-methoxyphenyl)butanal
CID 83835315
3-(2-hydroxy-3-methoxyphenyl)-1-(2,4,5-trimethoxyphenyl)butan-1-one
CID 10737231
3-(3-bromo-2-hydroxy-4,5-dimethoxyphenyl)butanal
CID 117487905

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)butanal?
The IUPAC name of 3-(2-hydroxy-3-methoxyphenyl)butanal (CID 83830642) is 3-(2-hydroxy-3-methoxyphenyl)butanal.
What is the SMILES notation for 3-(2-hydroxy-3-methoxyphenyl)butanal?
The canonical SMILES for 3-(2-hydroxy-3-methoxyphenyl)butanal is COc1cccc(C(C)CC=O)c1O.
What is the InChIKey of 3-(2-hydroxy-3-methoxyphenyl)butanal?
The InChIKey is GOMVRNCNYLEJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(6-7-12)9-4-3-5-10(14-2)11(9)13/h3-5,7-8,13H,6H2,1-2H3.
What are the key properties of 3-(2-hydroxy-3-methoxyphenyl)butanal?
3-(2-hydroxy-3-methoxyphenyl)butanal has a molecular weight of 194.23 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-3-methoxyphenyl)butanal is sourced from PubChem (CID 83830642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).