2-hydroxy-1-(2-propoxyphenyl)butan-1-one

C13H18O3 — CID 103452946

IUPAC2-hydroxy-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(O)CC
InChIInChI=1S/C13H18O3/c1-3-9-16-12-8-6-5-7-10(12)13(15)11(14)4-2/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyDXGAQSDZMHUKBU-UHFFFAOYSA-N
MW222.28 g/mol
LogP2.43
Rot. Bonds6

About 2-hydroxy-1-(2-propoxyphenyl)butan-1-one

2-hydroxy-1-(2-propoxyphenyl)butan-1-one (PubChem CID 103452946) has the molecular formula C13H18O3 and a molecular weight of 222.28 g/mol. Its IUPAC name is 2-hydroxy-1-(2-propoxyphenyl)butan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-(2-propoxyphenyl)butan-1-one
PubChem CID103452946
Molecular FormulaC13H18O3
Molecular Weight222.28 g/mol
Exact Mass222.13
IUPAC Name2-hydroxy-1-(2-propoxyphenyl)butan-1-one
SMILESCCCOc1ccccc1C(=O)C(O)CC
InChIInChI=1S/C13H18O3/c1-3-9-16-12-8-6-5-7-10(12)13(15)11(14)4-2/h5-8,11,14H,3-4,9H2,1-2H3
InChIKeyDXGAQSDZMHUKBU-UHFFFAOYSA-N
XLogP2.43
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
3-ethyl-2-hydroxy-1-(2-propoxyphenyl)pentan-1-one
CID 103458373
2-methoxy-3-methyl-1-(2-propoxyphenyl)butan-1-one
CID 116708411
2-propoxy-N'-(2-propoxybenzoyl)benzohydrazide
CID 4948435
N-butan-2-yl-2-propoxybenzamide
CID 71581291
phenyl-(2-propoxyphenyl)methanone
CID 15556308
2-butan-2-ylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659280
carbonic acid;propyl 2-propoxybenzoate
CID 69345278
2-propoxy-N-propylbenzamide
CID 58831728
2,2-dimethyl-1-(2-propoxyphenyl)butan-1-one
CID 115800819
1-(2-fluorophenyl)-2-hydroxybutan-1-one
CID 103453135
2-ethylsulfanyl-1-(2-propoxyphenyl)ethanone
CID 104659274

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-propoxyphenyl)butan-1-one?
The IUPAC name of 2-hydroxy-1-(2-propoxyphenyl)butan-1-one (CID 103452946) is 2-hydroxy-1-(2-propoxyphenyl)butan-1-one.
What is the SMILES notation for 2-hydroxy-1-(2-propoxyphenyl)butan-1-one?
The canonical SMILES for 2-hydroxy-1-(2-propoxyphenyl)butan-1-one is CCCOc1ccccc1C(=O)C(O)CC.
What is the InChIKey of 2-hydroxy-1-(2-propoxyphenyl)butan-1-one?
The InChIKey is DXGAQSDZMHUKBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O3/c1-3-9-16-12-8-6-5-7-10(12)13(15)11(14)4-2/h5-8,11,14H,3-4,9H2,1-2H3.
What are the key properties of 2-hydroxy-1-(2-propoxyphenyl)butan-1-one?
2-hydroxy-1-(2-propoxyphenyl)butan-1-one has a molecular weight of 222.28 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-propoxyphenyl)butan-1-one is sourced from PubChem (CID 103452946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).