3-(3-hydroxyphenyl)-2-methoxypropanal

C10H12O3 — CID 105438620

IUPAC3-(3-hydroxyphenyl)-2-methoxypropanal
SMILESCOC(C=O)Cc1cccc(O)c1
InChIInChI=1S/C10H12O3/c1-13-10(7-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,12H,6H2,1H3
InChIKeyQZBDGMIKVHQIFM-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.15
Rot. Bonds4

About 3-(3-hydroxyphenyl)-2-methoxypropanal

3-(3-hydroxyphenyl)-2-methoxypropanal (PubChem CID 105438620) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-(3-hydroxyphenyl)-2-methoxypropanal.

Molecular Properties

Compound Name3-(3-hydroxyphenyl)-2-methoxypropanal
PubChem CID105438620
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name3-(3-hydroxyphenyl)-2-methoxypropanal
SMILESCOC(C=O)Cc1cccc(O)c1
InChIInChI=1S/C10H12O3/c1-13-10(7-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,12H,6H2,1H3
InChIKeyQZBDGMIKVHQIFM-UHFFFAOYSA-N
XLogP1.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.15
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-hydroxyphenyl)-2-methoxypropanal
CID 105438622
3-(2-sulfanylpropyl)phenol
CID 115013475
cyclopropane;methyl 3-(3-hydroxyphenyl)-2-methylpropanoate
CID 144688794
3-(2-fluoro-3-hydroxypropyl)phenol
CID 105434418
4-[2-(3-hydroxyphenyl)-1-methoxyethyl]-2,6-dimethoxyphenol
CID 163040674
3-(2-nitropropyl)phenol
CID 55250663
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
3-[3-(hydroxymethyl)-4-(3-hydroxyphenyl)-2-methylbutyl]phenol
CID 142337153
(2R)-2-[(3-hydroxyphenyl)methyl]-3-methylbutanoic acid
CID 90059046
3-(3-hydroxyphenyl)-2-methylpropane-1-sulfonic acid
CID 115037807
(2S)-2-amino-3-(3-hydroxyphenyl)-N-methylpropanamide
CID 20638149
N-[(3-hydroxyphenyl)methyl]-2-methoxy-N-methylpropanamide
CID 115589835

Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxyphenyl)-2-methoxypropanal?
The IUPAC name of 3-(3-hydroxyphenyl)-2-methoxypropanal (CID 105438620) is 3-(3-hydroxyphenyl)-2-methoxypropanal.
What is the SMILES notation for 3-(3-hydroxyphenyl)-2-methoxypropanal?
The canonical SMILES for 3-(3-hydroxyphenyl)-2-methoxypropanal is COC(C=O)Cc1cccc(O)c1.
What is the InChIKey of 3-(3-hydroxyphenyl)-2-methoxypropanal?
The InChIKey is QZBDGMIKVHQIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-13-10(7-11)6-8-3-2-4-9(12)5-8/h2-5,7,10,12H,6H2,1H3.
What are the key properties of 3-(3-hydroxyphenyl)-2-methoxypropanal?
3-(3-hydroxyphenyl)-2-methoxypropanal has a molecular weight of 180.20 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxyphenyl)-2-methoxypropanal is sourced from PubChem (CID 105438620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).