3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal

C11H14O3 — CID 83830640

IUPAC3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(CC(C)C=O)cc1O
InChIInChI=1S/C11H14O3/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-4,6-8,13H,5H2,1-2H3
InChIKeyWMKBMHOIHVKIDI-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.78
Rot. Bonds4

About 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal

3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal (PubChem CID 83830640) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal.

Molecular Properties

Compound Name3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
PubChem CID83830640
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal
SMILESCOc1ccc(CC(C)C=O)cc1O
InChIInChI=1S/C11H14O3/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-4,6-8,13H,5H2,1-2H3
InChIKeyWMKBMHOIHVKIDI-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
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-(3-iodo-4-methoxyphenyl)-2-methylpropanal
CID 91884316
5-[2-[1-(3-hydroxy-4-methoxyphenyl)propan-2-yloxy]propyl]-2-methoxyphenol
CID 139528672
2-[2-hydroxy-4-(2-methyl-3-oxopropyl)phenyl]acetic acid
CID 91884332
2-methoxy-5-(2-methylpentyl)phenol
CID 154974152
5-[(2R)-2-(3,5-dimethoxy-4-methylphenyl)-2-hydroxyethyl]-2-methoxyphenol
CID 130324218
3-(3,4-dimethylphenyl)-2-methylpropanal
CID 64665590
diethyl 2-[(3-hydroxy-4-methoxyphenyl)methyl]propanedioate
CID 59114437
5-[(2S,3R)-4-(3-hydroxy-4-methoxyphenyl)-2,3-dimethylbutyl]-2,3-dimethoxyphenol
CID 146075484
3-(3-butoxy-4-hydroxyphenyl)-2-methylpropanal
CID 121290461
3-(3-hydroxy-4-methoxyphenyl)-2-thiophen-2-ylpropanoic acid
CID 22681173
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
5-(aminomethyl)-2-methoxyphenol
CID 1132998

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal?
The IUPAC name of 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal (CID 83830640) is 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal.
What is the SMILES notation for 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal?
The canonical SMILES for 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal is COc1ccc(CC(C)C=O)cc1O.
What is the InChIKey of 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal?
The InChIKey is WMKBMHOIHVKIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8(7-12)5-9-3-4-11(14-2)10(13)6-9/h3-4,6-8,13H,5H2,1-2H3.
What are the key properties of 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal?
3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal has a molecular weight of 194.23 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-4-methoxyphenyl)-2-methylpropanal is sourced from PubChem (CID 83830640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).