[4-(2-hydroxypropanoyl)phenyl]boronic acid

C9H11BO4 — CID 88984191

IUPAC[4-(2-hydroxypropanoyl)phenyl]boronic acid
SMILESCC(O)C(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C9H11BO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-6,11,13-14H,1H3
InChIKeyRRKIOKTXKYQSJD-UHFFFAOYSA-N
MW194.00 g/mol
LogP-1.07
Rot. Bonds3

About [4-(2-hydroxypropanoyl)phenyl]boronic acid

[4-(2-hydroxypropanoyl)phenyl]boronic acid (PubChem CID 88984191) has the molecular formula C9H11BO4 and a molecular weight of 194.00 g/mol. Its IUPAC name is [4-(2-hydroxypropanoyl)phenyl]boronic acid.

Molecular Properties

Compound Name[4-(2-hydroxypropanoyl)phenyl]boronic acid
PubChem CID88984191
Molecular FormulaC9H11BO4
Molecular Weight194.00 g/mol
Exact Mass194.08
IUPAC Name[4-(2-hydroxypropanoyl)phenyl]boronic acid
SMILESCC(O)C(=O)c1ccc(B(O)O)cc1
InChIInChI=1S/C9H11BO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-6,11,13-14H,1H3
InChIKeyRRKIOKTXKYQSJD-UHFFFAOYSA-N
XLogP-1.07
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.00
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

(4-acetylphenyl)boronic acid;molecular hydrogen
CID 143678764
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
ethane;[4-(methylcarbamoyl)phenyl]boronic acid
CID 145286024
[4-(3-methyl-2-oxobutyl)phenyl]boronic acid
CID 90365047
[4-(2-hydroxyacetyl)phenyl]boronic acid
CID 67818650
(2S)-2-hydroxy-1-naphthalen-2-ylpropan-1-one
CID 10130388
[4-(4-carbamoylphenyl)phenyl]boronic acid
CID 141067986
[4-(difluoromethyl)phenyl]boronic acid;ethane
CID 176922296
[4-[3,5-bis[(4-boronobenzoyl)oxy]phenoxy]carbonylphenyl]boronic acid
CID 11398963
[4-(difluoromethyl)phenyl]boronic acid;formaldehyde
CID 168963181
phenylboronic acid;propan-2-one
CID 175374589
(4-methylphenyl)boronic acid;sulfur monoxide
CID 177162052

Frequently Asked Questions

What is the IUPAC name of [4-(2-hydroxypropanoyl)phenyl]boronic acid?
The IUPAC name of [4-(2-hydroxypropanoyl)phenyl]boronic acid (CID 88984191) is [4-(2-hydroxypropanoyl)phenyl]boronic acid.
What is the SMILES notation for [4-(2-hydroxypropanoyl)phenyl]boronic acid?
The canonical SMILES for [4-(2-hydroxypropanoyl)phenyl]boronic acid is CC(O)C(=O)c1ccc(B(O)O)cc1.
What is the InChIKey of [4-(2-hydroxypropanoyl)phenyl]boronic acid?
The InChIKey is RRKIOKTXKYQSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BO4/c1-6(11)9(12)7-2-4-8(5-3-7)10(13)14/h2-6,11,13-14H,1H3.
What are the key properties of [4-(2-hydroxypropanoyl)phenyl]boronic acid?
[4-(2-hydroxypropanoyl)phenyl]boronic acid has a molecular weight of 194.00 g/mol, XLogP of -1.07, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-hydroxypropanoyl)phenyl]boronic acid is sourced from PubChem (CID 88984191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).