2-(2-hydroxy-4-methoxyphenyl)ethenone

C9H8O3 — CID 176541645

IUPAC2-(2-hydroxy-4-methoxyphenyl)ethenone
SMILESCOc1ccc(C=C=O)c(O)c1
InChIInChI=1S/C9H8O3/c1-12-8-3-2-7(4-5-10)9(11)6-8/h2-4,6,11H,1H3
InChIKeyGYXVMYYSQMTOTR-UHFFFAOYSA-N
MW164.16 g/mol
LogP1.25
Rot. Bonds2

About 2-(2-hydroxy-4-methoxyphenyl)ethenone

2-(2-hydroxy-4-methoxyphenyl)ethenone (PubChem CID 176541645) has the molecular formula C9H8O3 and a molecular weight of 164.16 g/mol. Its IUPAC name is 2-(2-hydroxy-4-methoxyphenyl)ethenone.

Molecular Properties

Compound Name2-(2-hydroxy-4-methoxyphenyl)ethenone
PubChem CID176541645
Molecular FormulaC9H8O3
Molecular Weight164.16 g/mol
Exact Mass164.05
IUPAC Name2-(2-hydroxy-4-methoxyphenyl)ethenone
SMILESCOc1ccc(C=C=O)c(O)c1
InChIInChI=1S/C9H8O3/c1-12-8-3-2-7(4-5-10)9(11)6-8/h2-4,6,11H,1H3
InChIKeyGYXVMYYSQMTOTR-UHFFFAOYSA-N
XLogP1.25
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[(E)-prop-1-enyl]phenol
CID 18539717
2-(ethyliminomethyl)-5-methoxyphenol
CID 144549332
1-(4-chlorophenyl)-3-(2-hydroxy-4-methoxyphenyl)prop-2-en-1-one
CID 54369733
3-(2-hydroxy-4-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 67082878
4-methoxy-2-propa-1,2-dienylphenol
CID 90735568
(2Z)-2-[(2-hydroxy-4-methoxyphenyl)methylidene]cyclopentan-1-one
CID 67064819
acetic acid;2-[2-[(2-hydroxy-4-methoxyphenyl)methylideneamino]ethyliminomethyl]-5-methoxyphenol;manganese
CID 135509459
2-[10-[(2-hydroxy-4-methoxyphenyl)methylideneamino]decyliminomethyl]-5-methoxyphenol
CID 136618032
3-hydroxy-6-methoxynaphthalene-2-carbaldehyde
CID 130034455
1-(2-hydroxy-4-methoxyphenyl)-7-(4-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 68553838
(2E,4E)-5-(2-hydroxy-4-methoxyphenyl)-1-(4-hydroxyphenyl)penta-2,4-dien-1-one
CID 127037969
3-(2-hydroxy-4-methoxyphenyl)-1-(2-methoxyphenyl)prop-2-en-1-one
CID 70432171

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxy-4-methoxyphenyl)ethenone?
The IUPAC name of 2-(2-hydroxy-4-methoxyphenyl)ethenone (CID 176541645) is 2-(2-hydroxy-4-methoxyphenyl)ethenone.
What is the SMILES notation for 2-(2-hydroxy-4-methoxyphenyl)ethenone?
The canonical SMILES for 2-(2-hydroxy-4-methoxyphenyl)ethenone is COc1ccc(C=C=O)c(O)c1.
What is the InChIKey of 2-(2-hydroxy-4-methoxyphenyl)ethenone?
The InChIKey is GYXVMYYSQMTOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O3/c1-12-8-3-2-7(4-5-10)9(11)6-8/h2-4,6,11H,1H3.
What are the key properties of 2-(2-hydroxy-4-methoxyphenyl)ethenone?
2-(2-hydroxy-4-methoxyphenyl)ethenone has a molecular weight of 164.16 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxy-4-methoxyphenyl)ethenone is sourced from PubChem (CID 176541645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).