2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C15H20BClO3 — CID 59606763

IUPAC2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2Cl)CCCO3)OC1(C)C
InChIInChI=1S/C15H20BClO3/c1-14(2)15(3,4)20-16(19-14)11-7-8-12-10(13(11)17)6-5-9-18-12/h7-8H,5-6,9H2,1-4H3
InChIKeyIOEIQEOHBIJQNT-UHFFFAOYSA-N
MW294.59 g/mol
LogP2.96
Rot. Bonds1

About 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (PubChem CID 59606763) has the molecular formula C15H20BClO3 and a molecular weight of 294.59 g/mol. Its IUPAC name is 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.

Molecular Properties

Compound Name2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID59606763
Molecular FormulaC15H20BClO3
Molecular Weight294.59 g/mol
Exact Mass294.12
IUPAC Name2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
SMILESCC1(C)OB(c2ccc3c(c2Cl)CCCO3)OC1(C)C
InChIInChI=1S/C15H20BClO3/c1-14(2)15(3,4)20-16(19-14)11-7-8-12-10(13(11)17)6-5-9-18-12/h7-8H,5-6,9H2,1-4H3
InChIKeyIOEIQEOHBIJQNT-UHFFFAOYSA-N
XLogP2.96
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.59
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The IUPAC name of 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (CID 59606763) is 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane.
What is the SMILES notation for 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The canonical SMILES for 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is CC1(C)OB(c2ccc3c(c2Cl)CCCO3)OC1(C)C.
What is the InChIKey of 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
The InChIKey is IOEIQEOHBIJQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BClO3/c1-14(2)15(3,4)20-16(19-14)11-7-8-12-10(13(11)17)6-5-9-18-12/h7-8H,5-6,9H2,1-4H3.
What are the key properties of 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane?
2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane has a molecular weight of 294.59 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3,4-dihydro-2H-chromen-6-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane is sourced from PubChem (CID 59606763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).