1-(4-hydroxy-2-methoxyphenyl)propan-1-one

C10H12O3 — CID 68757137

IUPAC1-(4-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(O)cc1OC
InChIInChI=1S/C10H12O3/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,11H,3H2,1-2H3
InChIKeyVZONHROZKCUBKK-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.99
Rot. Bonds3

About 1-(4-hydroxy-2-methoxyphenyl)propan-1-one

1-(4-hydroxy-2-methoxyphenyl)propan-1-one (PubChem CID 68757137) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is 1-(4-hydroxy-2-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2-methoxyphenyl)propan-1-one
PubChem CID68757137
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name1-(4-hydroxy-2-methoxyphenyl)propan-1-one
SMILESCCC(=O)c1ccc(O)cc1OC
InChIInChI=1S/C10H12O3/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,11H,3H2,1-2H3
InChIKeyVZONHROZKCUBKK-UHFFFAOYSA-N
XLogP1.99
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(4-hydroxy-2-methoxyphenyl)propan-1-one (CID 68757137) is 1-(4-hydroxy-2-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(4-hydroxy-2-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(4-hydroxy-2-methoxyphenyl)propan-1-one is CCC(=O)c1ccc(O)cc1OC.
What is the InChIKey of 1-(4-hydroxy-2-methoxyphenyl)propan-1-one?
The InChIKey is VZONHROZKCUBKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-9(12)8-5-4-7(11)6-10(8)13-2/h4-6,11H,3H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2-methoxyphenyl)propan-1-one?
1-(4-hydroxy-2-methoxyphenyl)propan-1-one has a molecular weight of 180.20 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2-methoxyphenyl)propan-1-one is sourced from PubChem (CID 68757137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).