(3-borono-4-propan-2-yloxyphenyl)boronic acid

C9H14B2O5 — CID 5162251

IUPAC(3-borono-4-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1ccc(B(O)O)cc1B(O)O
InChIInChI=1S/C9H14B2O5/c1-6(2)16-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6,12-15H,1-2H3
InChIKeyVRCVZJKLYXTQEY-UHFFFAOYSA-N
MW223.83 g/mol
LogP-2.17
Rot. Bonds4

About (3-borono-4-propan-2-yloxyphenyl)boronic acid

(3-borono-4-propan-2-yloxyphenyl)boronic acid (PubChem CID 5162251) has the molecular formula C9H14B2O5 and a molecular weight of 223.83 g/mol. Its IUPAC name is (3-borono-4-propan-2-yloxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-borono-4-propan-2-yloxyphenyl)boronic acid
PubChem CID5162251
Molecular FormulaC9H14B2O5
Molecular Weight223.83 g/mol
Exact Mass224.10
IUPAC Name(3-borono-4-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1ccc(B(O)O)cc1B(O)O
InChIInChI=1S/C9H14B2O5/c1-6(2)16-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6,12-15H,1-2H3
InChIKeyVRCVZJKLYXTQEY-UHFFFAOYSA-N
XLogP-2.17
TPSA90.15 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.83
LogP ≤ 5-2.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
CID 124705136
[3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid
CID 74788670
5-bromo-2-propan-2-yloxybenzonitrile;(3-cyano-4-propan-2-yloxyphenyl)boronic acid
CID 159884898
2-amino-4-(5-borono-2-propan-2-yloxyphenyl)-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169406245
[4-(methylsulfonylcarbamoyl)-3-propan-2-yloxyphenyl]boronic acid
CID 69103532
(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637
(2-fluoro-3-propan-2-yloxyphenyl)boronic acid
CID 46738972
[2-(difluoromethoxy)-5-fluorophenyl]boronic acid
CID 43145368
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
CID 114674548
[5-chloro-2-(difluoromethoxy)phenyl]boronic acid
CID 75485810
(3-fluoro-4-methoxyphenyl)boronic acid
CID 2782194

Frequently Asked Questions

What is the IUPAC name of (3-borono-4-propan-2-yloxyphenyl)boronic acid?
The IUPAC name of (3-borono-4-propan-2-yloxyphenyl)boronic acid (CID 5162251) is (3-borono-4-propan-2-yloxyphenyl)boronic acid.
What is the SMILES notation for (3-borono-4-propan-2-yloxyphenyl)boronic acid?
The canonical SMILES for (3-borono-4-propan-2-yloxyphenyl)boronic acid is CC(C)Oc1ccc(B(O)O)cc1B(O)O.
What is the InChIKey of (3-borono-4-propan-2-yloxyphenyl)boronic acid?
The InChIKey is VRCVZJKLYXTQEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14B2O5/c1-6(2)16-9-4-3-7(10(12)13)5-8(9)11(14)15/h3-6,12-15H,1-2H3.
What are the key properties of (3-borono-4-propan-2-yloxyphenyl)boronic acid?
(3-borono-4-propan-2-yloxyphenyl)boronic acid has a molecular weight of 223.83 g/mol, XLogP of -2.17, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-borono-4-propan-2-yloxyphenyl)boronic acid is sourced from PubChem (CID 5162251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).