1-(4-hydroxy-3-methoxyphenyl)ethanone

C9H10O3 — CID 2214

IUPAC1-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1O
InChIInChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKeyDFYRUELUNQRZTB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.60
Rot. Bonds2

About 1-(4-hydroxy-3-methoxyphenyl)ethanone

1-(4-hydroxy-3-methoxyphenyl)ethanone (PubChem CID 2214) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(4-hydroxy-3-methoxyphenyl)ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-3-methoxyphenyl)ethanone
PubChem CID2214
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name1-(4-hydroxy-3-methoxyphenyl)ethanone
SMILESCOc1cc(C(C)=O)ccc1O
InChIInChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3
InChIKeyDFYRUELUNQRZTB-UHFFFAOYSA-N
XLogP1.60
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)ethanone?
The IUPAC name of 1-(4-hydroxy-3-methoxyphenyl)ethanone (CID 2214) is 1-(4-hydroxy-3-methoxyphenyl)ethanone.
What is the SMILES notation for 1-(4-hydroxy-3-methoxyphenyl)ethanone?
The canonical SMILES for 1-(4-hydroxy-3-methoxyphenyl)ethanone is COc1cc(C(C)=O)ccc1O.
What is the InChIKey of 1-(4-hydroxy-3-methoxyphenyl)ethanone?
The InChIKey is DFYRUELUNQRZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6(10)7-3-4-8(11)9(5-7)12-2/h3-5,11H,1-2H3.
What are the key properties of 1-(4-hydroxy-3-methoxyphenyl)ethanone?
1-(4-hydroxy-3-methoxyphenyl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-3-methoxyphenyl)ethanone is sourced from PubChem (CID 2214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).