1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone

C12H16O3 — CID 63651270

IUPAC1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCC(C)O
InChIInChI=1S/C12H16O3/c1-8-4-5-11(10(3)14)12(6-8)15-7-9(2)13/h4-6,9,13H,7H2,1-3H3
InChIKeyPEKMNRBIMNVWCU-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.96
Rot. Bonds4

About 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone

1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone (PubChem CID 63651270) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
PubChem CID63651270
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone
SMILESCC(=O)c1ccc(C)cc1OCC(C)O
InChIInChI=1S/C12H16O3/c1-8-4-5-11(10(3)14)12(6-8)15-7-9(2)13/h4-6,9,13H,7H2,1-3H3
InChIKeyPEKMNRBIMNVWCU-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-acetyl-5-methylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 60701152
1-(2-hexoxy-4-methylphenyl)ethanone
CID 60778715
1-[2-(2-hydroxy-3-propan-2-yloxypropoxy)-5-methylphenyl]ethanone
CID 63988643
2-(2-acetyl-5-methylphenoxy)-N-butan-2-ylacetamide
CID 60701053
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479
4-amino-2-(2-hydroxypropoxy)benzamide
CID 106955593
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-(cyclopentylmethoxy)-4-methylphenyl]ethanone
CID 63650104
1-[2-(4,4-dimethylpent-2-ynoxy)-4-methylphenyl]ethanone
CID 114189947
1-[4-methyl-2-[(3-propan-2-ylimidazol-4-yl)methoxy]phenyl]ethanone
CID 66154216
1-[2-[(3-chlorophenyl)methoxy]-4-methylphenyl]ethanone
CID 60701262
1-[4-methyl-2-[(6-methyl-2-pyridinyl)methoxy]phenyl]ethanone
CID 79267704

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone?
The IUPAC name of 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone (CID 63651270) is 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone?
The canonical SMILES for 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone is CC(=O)c1ccc(C)cc1OCC(C)O.
What is the InChIKey of 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone?
The InChIKey is PEKMNRBIMNVWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-8-4-5-11(10(3)14)12(6-8)15-7-9(2)13/h4-6,9,13H,7H2,1-3H3.
What are the key properties of 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone?
1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone 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 1-[2-(2-hydroxypropoxy)-4-methylphenyl]ethanone is sourced from PubChem (CID 63651270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).