2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C20H23BO2 — CID 58174861

IUPAC2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c3c(cc4ccccc24)=CCCC=3)OC1(C)C
InChIInChI=1S/C20H23BO2/c1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h5,7,9-13H,6,8H2,1-4H3
InChIKeyLFYPVMMQGXMEFL-UHFFFAOYSA-N
MW306.21 g/mol
LogP2.49
Rot. Bonds1

About 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 58174861) has the molecular formula C20H23BO2 and a molecular weight of 306.21 g/mol. Its IUPAC name is 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID58174861
Molecular FormulaC20H23BO2
Molecular Weight306.21 g/mol
Exact Mass306.18
IUPAC Name2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2c3c(cc4ccccc24)=CCCC=3)OC1(C)C
InChIInChI=1S/C20H23BO2/c1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h5,7,9-13H,6,8H2,1-4H3
InChIKeyLFYPVMMQGXMEFL-UHFFFAOYSA-N
XLogP2.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.21
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 58174861) is 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2c3c(cc4ccccc24)=CCCC=3)OC1(C)C.
What is the InChIKey of 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is LFYPVMMQGXMEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BO2/c1-19(2)20(3,4)23-21(22-19)18-16-11-7-5-9-14(16)13-15-10-6-8-12-17(15)18/h5,7,9-13H,6,8H2,1-4H3.
What are the key properties of 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 306.21 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroanthracen-9-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 58174861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).