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

C10H15BO3 — CID 23005368

IUPAC(3-methyl-4-propan-2-yloxyphenyl)boronic acid
SMILESCc1cc(B(O)O)ccc1OC(C)C
InChIInChI=1S/C10H15BO3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3
InChIKeyXRGBZDZYYQVOJZ-UHFFFAOYSA-N
MW194.04 g/mol
LogP0.46
Rot. Bonds3

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

(3-methyl-4-propan-2-yloxyphenyl)boronic acid (PubChem CID 23005368) has the molecular formula C10H15BO3 and a molecular weight of 194.04 g/mol. Its IUPAC name is (3-methyl-4-propan-2-yloxyphenyl)boronic acid.

Molecular Properties

Compound Name(3-methyl-4-propan-2-yloxyphenyl)boronic acid
PubChem CID23005368
Molecular FormulaC10H15BO3
Molecular Weight194.04 g/mol
Exact Mass194.11
IUPAC Name(3-methyl-4-propan-2-yloxyphenyl)boronic acid
SMILESCc1cc(B(O)O)ccc1OC(C)C
InChIInChI=1S/C10H15BO3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3
InChIKeyXRGBZDZYYQVOJZ-UHFFFAOYSA-N
XLogP0.46
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.04
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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
(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
4-fluoro-2-methyl-1-propan-2-yloxybenzene
CID 58970665
[3-methyl-4-[(4-propan-2-ylphenyl)methoxy]phenyl]boronic acid
CID 63549727
2-(3-methyl-4-propan-2-yloxyphenyl)propan-1-ol
CID 117297903
2,2-dichloro-1-(3-methyl-4-propan-2-yloxyphenyl)ethanol
CID 164892670
1-(3-methyl-4-propan-2-yloxyphenyl)propan-1-one
CID 82051543
methyl 3-methyl-4-propan-2-yloxybenzoate
CID 58439062
[3-methyl-4-[(4-propan-2-ylmorpholin-2-yl)methoxy]phenyl]boronic acid
CID 64535557
[4-(methylsulfonylcarbamoyl)-3-propan-2-yloxyphenyl]boronic acid
CID 69103532

Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)boronic acid?
The IUPAC name of (3-methyl-4-propan-2-yloxyphenyl)boronic acid (CID 23005368) is (3-methyl-4-propan-2-yloxyphenyl)boronic acid.
What is the SMILES notation for (3-methyl-4-propan-2-yloxyphenyl)boronic acid?
The canonical SMILES for (3-methyl-4-propan-2-yloxyphenyl)boronic acid is Cc1cc(B(O)O)ccc1OC(C)C.
What is the InChIKey of (3-methyl-4-propan-2-yloxyphenyl)boronic acid?
The InChIKey is XRGBZDZYYQVOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BO3/c1-7(2)14-10-5-4-9(11(12)13)6-8(10)3/h4-7,12-13H,1-3H3.
What are the key properties of (3-methyl-4-propan-2-yloxyphenyl)boronic acid?
(3-methyl-4-propan-2-yloxyphenyl)boronic acid has a molecular weight of 194.04 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-propan-2-yloxyphenyl)boronic acid is sourced from PubChem (CID 23005368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).