[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid

C13H13BO3 — CID 99773321

IUPAC[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
SMILESOB(O)c1ccc([C@H](O)c2ccccc2)cc1
InChIInChI=1S/C13H13BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15-17H/t13-/m1/s1
InChIKeyKZDVEVNHPYZAEI-CYBMUJFWSA-N
MW228.06 g/mol
LogP0.45
Rot. Bonds3

About [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid

[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid (PubChem CID 99773321) has the molecular formula C13H13BO3 and a molecular weight of 228.06 g/mol. Its IUPAC name is [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid.

Molecular Properties

Compound Name[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
PubChem CID99773321
Molecular FormulaC13H13BO3
Molecular Weight228.06 g/mol
Exact Mass228.10
IUPAC Name[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid
SMILESOB(O)c1ccc([C@H](O)c2ccccc2)cc1
InChIInChI=1S/C13H13BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15-17H/t13-/m1/s1
InChIKeyKZDVEVNHPYZAEI-CYBMUJFWSA-N
XLogP0.45
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.06
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(S)-[3-[(R)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542470
1,4-diiodobenzene;(4-iodophenyl)-phenylmethanol
CID 163739706
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
[4-[(R)-phenyl(pyrrolidin-1-yl)methyl]phenyl]boronic acid
CID 99774751
[3-[(4-fluorophenyl)-hydroxymethyl]phenyl]boronic acid
CID 74892150
(R)-[2-[(S)-hydroxy(phenyl)methyl]phenyl]-phenylmethanol
CID 92542463
[4-[4-(N-phenylanilino)-N-[4-(N-phenylanilino)phenyl]anilino]phenyl]boronic acid
CID 142746536
2-[4-[hydroxy(phenyl)methyl]phenyl]-2-phenylacetonitrile
CID 2764122
4-[hydroxy(phenyl)methyl]benzaldehyde
CID 11806006
1-[4-(1,2-dihydroxy-2-phenylethyl)phenyl]-2-phenylethane-1,2-diol
CID 14066931
cyclopropene;phenylboronic acid
CID 175112144
(R)-(3,4-dichlorophenyl)-phenylmethanol
CID 7153278

Frequently Asked Questions

What is the IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid?
The IUPAC name of [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid (CID 99773321) is [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid.
What is the SMILES notation for [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid?
The canonical SMILES for [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid is OB(O)c1ccc([C@H](O)c2ccccc2)cc1.
What is the InChIKey of [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid?
The InChIKey is KZDVEVNHPYZAEI-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H13BO3/c15-13(10-4-2-1-3-5-10)11-6-8-12(9-7-11)14(16)17/h1-9,13,15-17H/t13-/m1/s1.
What are the key properties of [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid?
[4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid has a molecular weight of 228.06 g/mol, XLogP of 0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(R)-hydroxy(phenyl)methyl]phenyl]boronic acid is sourced from PubChem (CID 99773321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).