2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one

C12H16O3 — CID 103452969

IUPAC2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
SMILESCCC(O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O3/c1-4-10(13)12(14)9-7-8(2)5-6-11(9)15-3/h5-7,10,13H,4H2,1-3H3
InChIKeyHVTONTROFDKDOR-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds4

About 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one

2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one (PubChem CID 103452969) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
PubChem CID103452969
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one
SMILESCCC(O)C(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O3/c1-4-10(13)12(14)9-7-8(2)5-6-11(9)15-3/h5-7,10,13H,4H2,1-3H3
InChIKeyHVTONTROFDKDOR-UHFFFAOYSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-5-methylbenzoyl)butanenitrile
CID 62503537
2-methoxy-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 116708118
2,3-dichloro-1-(2-methoxy-5-methylphenyl)propan-1-one
CID 82118567
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
3-(2-methoxy-5-methylphenyl)-2-methyl-3-oxopropanoic acid
CID 116918170
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
2-methoxy-1-(2-methoxy-5-methylphenyl)-3,3-dimethylbutan-1-one
CID 116709606
1-methoxy-4-methyl-2-pentan-3-yloxybenzene;propan-2-one
CID 144508137
ethyl acetate;1-methoxy-2,4-dimethylbenzene
CID 174810221
2-hydroxy-3-[(2-methoxy-5-methylbenzoyl)amino]propanoic acid
CID 66166052
6-amino-1-(2-methoxy-5-methylphenyl)-2-methylheptan-1-one
CID 116574340
N-(2-hydroxypropyl)-2-methoxy-N,5-dimethylbenzamide
CID 62334596

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one?
The IUPAC name of 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one (CID 103452969) is 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one is CCC(O)C(=O)c1cc(C)ccc1OC.
What is the InChIKey of 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one?
The InChIKey is HVTONTROFDKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-4-10(13)12(14)9-7-8(2)5-6-11(9)15-3/h5-7,10,13H,4H2,1-3H3.
What are the key properties of 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one?
2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one has a molecular weight of 208.26 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxy-5-methylphenyl)butan-1-one is sourced from PubChem (CID 103452969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).