1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

C10H12O4 — CID 17198

IUPAC1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1O
InChIInChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKeyOJOBTAOGJIWAGB-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.61
Rot. Bonds3

About 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone

1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone (PubChem CID 17198) has the molecular formula C10H12O4 and a molecular weight of 196.20 g/mol. Its IUPAC name is 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
PubChem CID17198
Molecular FormulaC10H12O4
Molecular Weight196.20 g/mol
Exact Mass196.07
IUPAC Name1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)cc(OC)c1O
InChIInChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3
InChIKeyOJOBTAOGJIWAGB-UHFFFAOYSA-N
XLogP1.61
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Vanillin
CID 1183
Propyl Gallate
CID 4947
Diosmetin
CID 5281612
Vanillic Acid
CID 8468
Luteolin
CID 5280445
Ethylvanillin
CID 8467
Octyl Gallate
CID 61253
Acetovanillone
CID 2214
Paeonol
CID 11092
Syringic Acid
CID 10742
Dodecyl Gallate
CID 14425
Homovanillic Acid
CID 1738

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone (CID 17198) is 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone is COc1cc(C(C)=O)cc(OC)c1O.
What is the InChIKey of 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
The InChIKey is OJOBTAOGJIWAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4/c1-6(11)7-4-8(13-2)10(12)9(5-7)14-3/h4-5,12H,1-3H3.
What are the key properties of 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone?
1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone has a molecular weight of 196.20 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone is sourced from PubChem (CID 17198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).