2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one

C13H18O4 — CID 66648781

IUPAC2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
SMILESCC(O)COc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C13H18O4/c1-9(14)8-17-11-6-4-10(5-7-11)12(15)13(2,3)16/h4-7,9,14,16H,8H2,1-3H3
InChIKeyZCAKXIMITCASOU-UHFFFAOYSA-N
MW238.28 g/mol
LogP1.40
Rot. Bonds5

About 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one

2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one (PubChem CID 66648781) has the molecular formula C13H18O4 and a molecular weight of 238.28 g/mol. Its IUPAC name is 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
PubChem CID66648781
Molecular FormulaC13H18O4
Molecular Weight238.28 g/mol
Exact Mass238.12
IUPAC Name2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one
SMILESCC(O)COc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C13H18O4/c1-9(14)8-17-11-6-4-10(5-7-11)12(15)13(2,3)16/h4-7,9,14,16H,8H2,1-3H3
InChIKeyZCAKXIMITCASOU-UHFFFAOYSA-N
XLogP1.40
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
2-hydroxy-1-[4-(hydroxymethoxy)phenyl]-2-methylpropan-1-one;methane
CID 162256777
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
benzoic acid;1-phenoxypropan-2-ol
CID 70185912
1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
ethyl-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl]-dimethylazanium
CID 118135437
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
CID 151465505
2-hydroxy-1-[4-(1-hydroxyethyl)phenyl]-2-methylpropan-1-one
CID 66718665
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one (CID 66648781) is 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one is CC(O)COc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one?
The InChIKey is ZCAKXIMITCASOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4/c1-9(14)8-17-11-6-4-10(5-7-11)12(15)13(2,3)16/h4-7,9,14,16H,8H2,1-3H3.
What are the key properties of 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one?
2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one has a molecular weight of 238.28 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[4-(2-hydroxypropoxy)phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 66648781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).