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

C9H13BO4 — CID 124705136

IUPAC(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1cc(B(O)O)ccc1O
InChIInChI=1S/C9H13BO4/c1-6(2)14-9-5-7(10(12)13)3-4-8(9)11/h3-6,11-13H,1-2H3
InChIKeyIZZNCFZCBLAMHH-UHFFFAOYSA-N
MW196.01 g/mol
LogP-0.14
Rot. Bonds3

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

(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid (PubChem CID 124705136) has the molecular formula C9H13BO4 and a molecular weight of 196.01 g/mol. Its IUPAC name is (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid.

Molecular Properties

Compound Name(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
PubChem CID124705136
Molecular FormulaC9H13BO4
Molecular Weight196.01 g/mol
Exact Mass196.09
IUPAC Name(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid
SMILESCC(C)Oc1cc(B(O)O)ccc1O
InChIInChI=1S/C9H13BO4/c1-6(2)14-9-5-7(10(12)13)3-4-8(9)11/h3-6,11-13H,1-2H3
InChIKeyIZZNCFZCBLAMHH-UHFFFAOYSA-N
XLogP-0.14
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.01
LogP ≤ 5-0.14
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

(3-borono-4-propan-2-yloxyphenyl)boronic acid
CID 5162251
(3-methyl-4-propan-2-yloxyphenyl)boronic acid
CID 23005368
[3-propan-2-yloxy-4-(trifluoromethoxy)phenyl]boronic acid
CID 74788670
2,5-di(propan-2-yloxy)benzene-1,4-diol
CID 70497584
[4-(methylsulfonylcarbamoyl)-3-propan-2-yloxyphenyl]boronic acid
CID 69103532
(3,4-dihydroxyphenyl)boronic acid
CID 57416308
2-(4-hydroxy-3-propan-2-yloxyphenoxy)propane-1,3-diol
CID 77231109
(3-chloro-4-methoxy-5-propan-2-yloxyphenyl)boronic acid
CID 56776637
5-bromo-2-propan-2-yloxybenzonitrile;(3-cyano-4-propan-2-yloxyphenyl)boronic acid
CID 159884898
(3-but-3-en-2-yloxy-4-fluorophenyl)boronic acid
CID 114674548
4-[(3R)-3-aminobutyl]-2-propan-2-yloxyphenol
CID 118278100
4-chloro-2,5-di(propan-2-yloxy)phenol
CID 82267991

Frequently Asked Questions

What is the IUPAC name of (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid?
The IUPAC name of (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid (CID 124705136) is (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid.
What is the SMILES notation for (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid?
The canonical SMILES for (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid is CC(C)Oc1cc(B(O)O)ccc1O.
What is the InChIKey of (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid?
The InChIKey is IZZNCFZCBLAMHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BO4/c1-6(2)14-9-5-7(10(12)13)3-4-8(9)11/h3-6,11-13H,1-2H3.
What are the key properties of (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid?
(4-hydroxy-3-propan-2-yloxyphenyl)boronic acid has a molecular weight of 196.01 g/mol, XLogP of -0.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydroxy-3-propan-2-yloxyphenyl)boronic acid is sourced from PubChem (CID 124705136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).