3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one

C12H14O4 — CID 168820225

IUPAC3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
SMILESO=C(CCO)c1ccc(C(=O)CCO)cc1
InChIInChI=1S/C12H14O4/c13-7-5-11(15)9-1-2-10(4-3-9)12(16)6-8-14/h1-4,13-14H,5-8H2
InChIKeyAENSYASJJDVLBK-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.82
Rot. Bonds6

About 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one

3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one (PubChem CID 168820225) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
PubChem CID168820225
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one
SMILESO=C(CCO)c1ccc(C(=O)CCO)cc1
InChIInChI=1S/C12H14O4/c13-7-5-11(15)9-1-2-10(4-3-9)12(16)6-8-14/h1-4,13-14H,5-8H2
InChIKeyAENSYASJJDVLBK-UHFFFAOYSA-N
XLogP0.82
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;3-hydroxy-1-phenylpropan-1-one
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1-(4-fluorophenyl)-5-hydroxypentan-1-one
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1,4-bis[4-(2-hydroxyethylamino)phenyl]butane-1,4-dione
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4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
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12-hydroxy-1-phenyldodecan-1-one
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7-hydroxy-1-[4-(trifluoromethyl)phenyl]heptan-1-one
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4-hydroxy-1-(4-phenoxyphenyl)butan-1-one
CID 98016741
4-[4-(2-hydroxyethylsulfanyl)phenyl]-4-oxobutanoic acid
CID 82165387
1-(4-ethoxy-3-fluorophenyl)-3-hydroxypropan-1-one
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1-(4-tetradecanoylphenyl)tetradecan-1-one
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one (CID 168820225) is 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one is O=C(CCO)c1ccc(C(=O)CCO)cc1.
What is the InChIKey of 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one?
The InChIKey is AENSYASJJDVLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c13-7-5-11(15)9-1-2-10(4-3-9)12(16)6-8-14/h1-4,13-14H,5-8H2.
What are the key properties of 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one?
3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one has a molecular weight of 222.24 g/mol, XLogP of 0.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(3-hydroxypropanoyl)phenyl]propan-1-one is sourced from PubChem (CID 168820225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).