2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone

C16H14O4 — CID 173305848

IUPAC2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
SMILESO=C(CO)c1cccc(-c2ccccc2)c1C(=O)CO
InChIInChI=1S/C16H14O4/c17-9-14(19)13-8-4-7-12(16(13)15(20)10-18)11-5-2-1-3-6-11/h1-8,17-18H,9-10H2
InChIKeyUIXRAEVYCQCUBP-UHFFFAOYSA-N
MW270.28 g/mol
LogP1.70
Rot. Bonds5

About 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone

2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone (PubChem CID 173305848) has the molecular formula C16H14O4 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
PubChem CID173305848
Molecular FormulaC16H14O4
Molecular Weight270.28 g/mol
Exact Mass270.09
IUPAC Name2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone
SMILESO=C(CO)c1cccc(-c2ccccc2)c1C(=O)CO
InChIInChI=1S/C16H14O4/c17-9-14(19)13-8-4-7-12(16(13)15(20)10-18)11-5-2-1-3-6-11/h1-8,17-18H,9-10H2
InChIKeyUIXRAEVYCQCUBP-UHFFFAOYSA-N
XLogP1.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenylphthalic acid;dihydrobromide
CID 67683459
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
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CID 130387255
barium(2+);3-phenylphthalate
CID 141391844
2-benzoyl-6-phenylbenzoic acid
CID 174388121
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
anthracene;3-phenylphthalic acid
CID 161382372
2H-benzotriazole;3-phenylphthalic acid
CID 175494316
2-hydroxy-1-[2-[4-(methylamino)phenyl]phenyl]ethanone
CID 21043155
2-phenacyl-6-phenylbenzoic acid
CID 59608656
2,4-dioxo-4-(2-phenylphenyl)butanoic acid
CID 23623031
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone (CID 173305848) is 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone is O=C(CO)c1cccc(-c2ccccc2)c1C(=O)CO.
What is the InChIKey of 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone?
The InChIKey is UIXRAEVYCQCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O4/c17-9-14(19)13-8-4-7-12(16(13)15(20)10-18)11-5-2-1-3-6-11/h1-8,17-18H,9-10H2.
What are the key properties of 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone?
2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone has a molecular weight of 270.28 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-(2-hydroxyacetyl)-3-phenylphenyl]ethanone is sourced from PubChem (CID 173305848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).