2-(2,4-dimethoxyphenyl)-2-hydroxyethenone

C10H10O4 — CID 86181378

IUPAC2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
SMILESCOc1ccc(C(O)=C=O)c(OC)c1
InChIInChI=1S/C10H10O4/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,12H,1-2H3
InChIKeyCPHQYRLXVDLVPT-UHFFFAOYSA-N
MW194.19 g/mol
LogP1.43
Rot. Bonds3

About 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone

2-(2,4-dimethoxyphenyl)-2-hydroxyethenone (PubChem CID 86181378) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone.

Molecular Properties

Compound Name2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
PubChem CID86181378
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name2-(2,4-dimethoxyphenyl)-2-hydroxyethenone
SMILESCOc1ccc(C(O)=C=O)c(OC)c1
InChIInChI=1S/C10H10O4/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,12H,1-2H3
InChIKeyCPHQYRLXVDLVPT-UHFFFAOYSA-N
XLogP1.43
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'ketene', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxybenzoic acid
CID 7052
2,4-dimethoxybenzoic acid
CID 67450326
2,4-dimethoxybenzoate
CID 6947027
(2,4-dimethoxybenzoyl)oxycarbonyl 2,4-dimethoxybenzoate
CID 171476388
1-(2,4-dimethoxyphenyl)-N-[1-(2,4-dimethoxyphenyl)ethylideneamino]ethanimine
CID 1032559
3-bis(2,4-dimethoxybenzoyl)phosphanylpropanoic acid
CID 175364202
1-(2,4-dimethoxyphenyl)-2-(2-hydroxy-4-methoxyphenyl)ethane-1,2-dione
CID 14018354
3-chloro-3-(2,4-dimethoxyphenyl)prop-2-enal
CID 86190919
2-(2,4-dimethoxyphenyl)prop-2-enenitrile
CID 82075391
5-bromo-2,4-dimethoxybenzoic acid;2,4-dimethoxybenzoic acid
CID 158809754
2-(2,4-dimethoxybenzoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391792
3-chloro-1-(2,4-dimethoxyphenyl)-2,2-dimethylpropan-1-one
CID 146006279

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone?
The IUPAC name of 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone (CID 86181378) is 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone.
What is the SMILES notation for 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone?
The canonical SMILES for 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone is COc1ccc(C(O)=C=O)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone?
The InChIKey is CPHQYRLXVDLVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O4/c1-13-7-3-4-8(9(12)6-11)10(5-7)14-2/h3-5,12H,1-2H3.
What are the key properties of 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone?
2-(2,4-dimethoxyphenyl)-2-hydroxyethenone has a molecular weight of 194.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyphenyl)-2-hydroxyethenone is sourced from PubChem (CID 86181378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).