[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid

C10H15BO3 — CID 59315407

IUPAC[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid
SMILESCc1cc(B(O)O)ccc1[C@@H](C)CO
InChIInChI=1S/C10H15BO3/c1-7-5-9(11(13)14)3-4-10(7)8(2)6-12/h3-5,8,12-14H,6H2,1-2H3/t8-/m0/s1
InChIKeyOIBZQOAEDGCEIQ-QMMMGPOBSA-N
MW194.04 g/mol
LogP-0.23
Rot. Bonds3

About [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid

[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid (PubChem CID 59315407) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid.

Molecular Properties

Compound Name[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid
PubChem CID59315407
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Name[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid
SMILESCc1cc(B(O)O)ccc1[C@@H](C)CO
InChIInChI=1S/C10H15BO3/c1-7-5-9(11(13)14)3-4-10(7)8(2)6-12/h3-5,8,12-14H,6H2,1-2H3/t8-/m0/s1
InChIKeyOIBZQOAEDGCEIQ-QMMMGPOBSA-N
XLogP-0.23
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid?
The IUPAC name of [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid (CID 59315407) is [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid.
What is the SMILES notation for [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid?
The canonical SMILES for [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid is Cc1cc(B(O)O)ccc1[C@@H](C)CO.
What is the InChIKey of [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid?
The InChIKey is OIBZQOAEDGCEIQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H15BO3/c1-7-5-9(11(13)14)3-4-10(7)8(2)6-12/h3-5,8,12-14H,6H2,1-2H3/t8-/m0/s1.
What are the key properties of [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid?
[4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid has a molecular weight of 194.04 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2R)-1-hydroxypropan-2-yl]-3-methylphenyl]boronic acid is sourced from PubChem (CID 59315407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).