[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol

C16H23BO3 — CID 59535348

IUPAC[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol
SMILESCC1(C)OB(c2ccc(C3(CO)CC3)cc2)OC1(C)C
InChIInChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8,18H,9-11H2,1-4H3
InChIKeyWLKBNPVGNWGUSP-UHFFFAOYSA-N
MW274.17 g/mol
LogP2.01
Rot. Bonds3

About [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol

[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol (PubChem CID 59535348) has the molecular formula C16H23BO3 and a molecular weight of 274.17 g/mol. Its IUPAC name is [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol.

Molecular Properties

Compound Name[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol
PubChem CID59535348
Molecular FormulaC16H23BO3
Molecular Weight274.17 g/mol
Exact Mass274.17
IUPAC Name[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol
SMILESCC1(C)OB(c2ccc(C3(CO)CC3)cc2)OC1(C)C
InChIInChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8,18H,9-11H2,1-4H3
InChIKeyWLKBNPVGNWGUSP-UHFFFAOYSA-N
XLogP2.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1-Phenylcyclopentyl)methanol
CID 123544
1-Phenylcyclopropanemethanol
CID 520536
1,3-Propanediol, 2-methyl-2-phenyl-
CID 90603
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
3,3-Dimethyl-1-phenylbutan-2-ol
CID 5051506
(4R,5S,Z)-6-(2-hydroxyethylidene)-4,8-dimethyl-7-((E)-2-methyl-3-phenylallyl)spiro[2.5]oct-7-ene-4,5-diol
CID 11975484
(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]decan-1-ol
CID 54756215
1-(4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethanol
CID 71256749
3-Hydroxymethylphenylboronic acid pinacol ester
CID 44118236
(2-Methyl-5-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)phenyl)Methanol
CID 56776722
(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]heptan-1-ol
CID 54596260
(2E)-1-cyclopropyl-1-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methylidene]pentan-1-ol
CID 54756216

Frequently Asked Questions

What is the IUPAC name of [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol?
The IUPAC name of [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol (CID 59535348) is [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol.
What is the SMILES notation for [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol?
The canonical SMILES for [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol is CC1(C)OB(c2ccc(C3(CO)CC3)cc2)OC1(C)C.
What is the InChIKey of [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol?
The InChIKey is WLKBNPVGNWGUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BO3/c1-14(2)15(3,4)20-17(19-14)13-7-5-12(6-8-13)16(11-18)9-10-16/h5-8,18H,9-11H2,1-4H3.
What are the key properties of [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol?
[1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol has a molecular weight of 274.17 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropyl]methanol is sourced from PubChem (CID 59535348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).