3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal

C11H14O3 — CID 117284468

IUPAC3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
SMILESCOc1cc(CCC=O)c(O)cc1C
InChIInChI=1S/C11H14O3/c1-8-6-10(13)9(4-3-5-12)7-11(8)14-2/h5-7,13H,3-4H2,1-2H3
InChIKeyRMKWYEDIBFIHGP-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.84
Rot. Bonds4

About 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal

3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal (PubChem CID 117284468) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal.

Molecular Properties

Compound Name3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
PubChem CID117284468
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Name3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal
SMILESCOc1cc(CCC=O)c(O)cc1C
InChIInChI=1S/C11H14O3/c1-8-6-10(13)9(4-3-5-12)7-11(8)14-2/h5-7,13H,3-4H2,1-2H3
InChIKeyRMKWYEDIBFIHGP-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
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-4,5-dimethylphenyl)propanal
CID 117277791
3-(2-bromo-5-methoxy-4-methylphenyl)propanal
CID 117395582
3-(5-chloro-2-hydroxy-4-methoxyphenyl)propanal
CID 117305887
3-(5-fluoro-2-hydroxy-4-methylphenyl)propanal
CID 117279085
3-(5-methoxy-4-methyl-2-methylsulfonylphenyl)propanal
CID 117394385
2-(aminomethyl)-4-methoxy-5-methylphenol
CID 67518615
3-(2-chloro-5-hydroxy-4-methoxyphenyl)propanal
CID 117305892
3-(2-bromo-5-hydroxy-4-methoxyphenyl)propanal
CID 117400806
4,5-dimethoxy-2-(3-oxopropyl)benzaldehyde
CID 117317867
3-(5-fluoro-2-methoxy-3-methylphenyl)propanal
CID 117286131
3-(2-hydroxy-5-methoxy-4-methylphenyl)-2-methylpropanoic acid
CID 117321917
4-methoxy-5-methyl-2-(2-piperazin-1-ylethyl)phenol
CID 117379682

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal?
The IUPAC name of 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal (CID 117284468) is 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal.
What is the SMILES notation for 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal?
The canonical SMILES for 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal is COc1cc(CCC=O)c(O)cc1C.
What is the InChIKey of 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal?
The InChIKey is RMKWYEDIBFIHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c1-8-6-10(13)9(4-3-5-12)7-11(8)14-2/h5-7,13H,3-4H2,1-2H3.
What are the key properties of 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal?
3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal has a molecular weight of 194.23 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxy-5-methoxy-4-methylphenyl)propanal is sourced from PubChem (CID 117284468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).