(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid

C15H25BO3 — CID 56844906

IUPAC(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid
SMILESCC(C)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H25BO3/c1-11(2)12-8-7-9-13(10-12)16(18)19-15(5,6)14(3,4)17/h7-11,17-18H,1-6H3
InChIKeyIQHDHTGFORNHJY-UHFFFAOYSA-N
MW264.17 g/mol
LogP2.06
Rot. Bonds5

About (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid

(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid (PubChem CID 56844906) has the molecular formula C15H25BO3 and a molecular weight of 264.17 g/mol. Its IUPAC name is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid.

Molecular Properties

Compound Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid
PubChem CID56844906
Molecular FormulaC15H25BO3
Molecular Weight264.17 g/mol
Exact Mass264.19
IUPAC Name(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid
SMILESCC(C)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1
InChIInChI=1S/C15H25BO3/c1-11(2)12-8-7-9-13(10-12)16(18)19-15(5,6)14(3,4)17/h7-11,17-18H,1-6H3
InChIKeyIQHDHTGFORNHJY-UHFFFAOYSA-N
XLogP2.06
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.17
LogP ≤ 52.06
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

(3,4-dimethylphenyl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 56844749
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[3-(4-methylpiperazin-1-yl)phenyl]borinic acid
CID 131676341
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(2-methyl-1,3-benzothiazol-6-yl)borinic acid
CID 90175238
(2-ethoxy-4-pyridinyl)-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 67079492
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-quinolin-3-ylborinic acid
CID 51358262
[3-(4-bromo-1,3-thiazol-5-yl)phenyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 171371109
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]phenyl]borinic acid
CID 154804765
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(4-trimethylsilylphenyl)borinic acid
CID 75493074
[2-[ethyl(methyl)amino]-4-pyridinyl]-(3-hydroxy-2,3-dimethylbutan-2-yl)oxyborinic acid
CID 163198737
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-imidazo[1,2-a]pyridin-7-ylborinic acid
CID 91828086
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-[4-(trifluoromethoxy)phenyl]borinic acid
CID 71307428
1,1-difluoro-2-methyl-1-(3-propan-2-ylphenyl)propan-2-ol
CID 164919043

Frequently Asked Questions

What is the IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid?
The IUPAC name of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid (CID 56844906) is (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid.
What is the SMILES notation for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid?
The canonical SMILES for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid is CC(C)c1cccc(B(O)OC(C)(C)C(C)(C)O)c1.
What is the InChIKey of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid?
The InChIKey is IQHDHTGFORNHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BO3/c1-11(2)12-8-7-9-13(10-12)16(18)19-15(5,6)14(3,4)17/h7-11,17-18H,1-6H3.
What are the key properties of (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid?
(3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid has a molecular weight of 264.17 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxy-2,3-dimethylbutan-2-yl)oxy-(3-propan-2-ylphenyl)borinic acid is sourced from PubChem (CID 56844906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).