1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol

C11H16O5 — CID 174948950

IUPAC1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol
SMILESCC(=O)c1ccc(O)cc1.OCC(O)CO
InChIInChI=1S/C8H8O2.C3H8O3/c1-6(9)7-2-4-8(10)5-3-7;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2
InChIKeyJTNLFSKPGBZOTI-UHFFFAOYSA-N
MW228.24 g/mol
LogP-0.07
Rot. Bonds3

About 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol

1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol (PubChem CID 174948950) has the molecular formula C11H16O5 and a molecular weight of 228.24 g/mol. Its IUPAC name is 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol.

Molecular Properties

Compound Name1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol
PubChem CID174948950
Molecular FormulaC11H16O5
Molecular Weight228.24 g/mol
Exact Mass228.10
IUPAC Name1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol
SMILESCC(=O)c1ccc(O)cc1.OCC(O)CO
InChIInChI=1S/C8H8O2.C3H8O3/c1-6(9)7-2-4-8(10)5-3-7;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2
InChIKeyJTNLFSKPGBZOTI-UHFFFAOYSA-N
XLogP-0.07
TPSA97.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-hydroxyphenyl)(211C)ethanone
CID 177408736
1-(4-hydroxyphenyl)ethanone;phosphane
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butane;1-(4-hydroxyphenyl)ethanone
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ethyl 4-hydroxybenzoate;propane-1,2,3-triol
CID 158935793
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CID 66175411
1-(4-acetylphenyl)ethanone;methane
CID 159515104
[4-(2,3-dihydroxypropylamino)phenyl]-(4-hydroxyphenyl)methanone
CID 168596127
1-[4-(2-amino-1,3-dihydroxypropyl)phenyl]ethanone
CID 23570467
1-[4-bromo-3-(2,3-dihydroxypropylamino)phenyl]ethanone
CID 168594040
1-[4-(dihydroxymethyl)phenyl]ethanone
CID 66714715
1-(4-hydroxyphenyl)ethanone;4-pentylphenol
CID 70426923
1-(4-hydroxyphenyl)ethanone;4-(1-methylcyclopropyl)phenol
CID 161486309

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol?
The IUPAC name of 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol (CID 174948950) is 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol.
What is the SMILES notation for 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol?
The canonical SMILES for 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol is CC(=O)c1ccc(O)cc1.OCC(O)CO.
What is the InChIKey of 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol?
The InChIKey is JTNLFSKPGBZOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O2.C3H8O3/c1-6(9)7-2-4-8(10)5-3-7;4-1-3(6)2-5/h2-5,10H,1H3;3-6H,1-2H2.
What are the key properties of 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol?
1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol has a molecular weight of 228.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyphenyl)ethanone;propane-1,2,3-triol is sourced from PubChem (CID 174948950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).