2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H23BO3 — CID 68594572

IUPAC2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BO3/c1-11(17-6)12-7-9-13(10-8-12)16-18-14(2,3)15(4,5)19-16/h7-11H,1-6H3
InChIKeyLVVQCZOONSKLDK-UHFFFAOYSA-N
MW262.16 g/mol
LogP2.69
Rot. Bonds3

About 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 68594572) has the molecular formula C15H23BO3 and a molecular weight of 262.16 g/mol. Its IUPAC name is 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID68594572
Molecular FormulaC15H23BO3
Molecular Weight262.16 g/mol
Exact Mass262.17
IUPAC Name2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCOC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1
InChIInChI=1S/C15H23BO3/c1-11(17-6)12-7-9-13(10-8-12)16-18-14(2,3)15(4,5)19-16/h7-11H,1-6H3
InChIKeyLVVQCZOONSKLDK-UHFFFAOYSA-N
XLogP2.69
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.16
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Styrene Oxide
CID 7276
(S)-styrene oxide
CID 114946
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
2-Methyl-2-phenyloxirane
CID 16398
Benzene, (1-ethoxyethyl)-
CID 18693
2H-Pyran, 3,6-dihydro-4-methyl-2-phenyl-
CID 108443
1-(2-Methoxypropan-2-yl)-4-methylbenzene
CID 14121774
2-Methyl-2-phenyl-1,3-dioxolane
CID 138006
4-(Hydroxymethyl)benzeneboronic acid pinacol ester
CID 11402050
4-Phenyl-1,3-dioxolane
CID 70634
(1S,2S)-(-)-1-Phenylpropylene oxide
CID 119448

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 68594572) is 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is COC(C)c1ccc(B2OC(C)(C)C(C)(C)O2)cc1.
What is the InChIKey of 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LVVQCZOONSKLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BO3/c1-11(17-6)12-7-9-13(10-8-12)16-18-14(2,3)15(4,5)19-16/h7-11H,1-6H3.
What are the key properties of 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 262.16 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-methoxyethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 68594572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).