[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane

C21H26BO4P — CID 174098831

IUPAC[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane
SMILESCC1(C)OB(c2ccc(Oc3cccc(OC4CC4)c3P)cc2)OC1(C)C
InChIInChI=1S/C21H26BO4P/c1-20(2)21(3,4)26-22(25-20)14-8-10-15(11-9-14)23-17-6-5-7-18(19(17)27)24-16-12-13-16/h5-11,16H,12-13,27H2,1-4H3
InChIKeyGDGSOHOPAIAUCQ-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.82
Rot. Bonds5

About [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane

[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane (PubChem CID 174098831) has the molecular formula C21H26BO4P and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane.

Molecular Properties

Compound Name[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane
PubChem CID174098831
Molecular FormulaC21H26BO4P
Molecular Weight384.22 g/mol
Exact Mass384.17
IUPAC Name[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane
SMILESCC1(C)OB(c2ccc(Oc3cccc(OC4CC4)c3P)cc2)OC1(C)C
InChIInChI=1S/C21H26BO4P/c1-20(2)21(3,4)26-22(25-20)14-8-10-15(11-9-14)23-17-6-5-7-18(19(17)27)24-16-12-13-16/h5-11,16H,12-13,27H2,1-4H3
InChIKeyGDGSOHOPAIAUCQ-UHFFFAOYSA-N
XLogP3.82
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(6-cyclopropyloxynaphthalen-2-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 131440071
1-(3-cyclopropyloxyphenyl)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethanol
CID 140866719
2-[4-(4-bromophenoxy)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 138987170
4,4,5,5-tetramethyl-2-[3-(oxan-4-yloxy)phenyl]-1,3,2-dioxaborolane
CID 130161711
methyl 2-cyclopropyloxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
CID 142472824
2-methyl-1-[4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]piperidin-1-yl]propan-1-one
CID 162677583
2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]pyridine
CID 67248701
2-phenoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
CID 11244224
4-[3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]cyclobutyl]morpholine
CID 168984962
2-methyl-4-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]-1,3-thiazole
CID 174077936
2-[4-(4-fluorophenoxy)phenyl]-4,5,5-trimethyl-4-methyl-1,3,2-dioxaborolane
CID 123902177
4,4,5,5-tetramethyl-2-[4-methyl-2-(4-methylcyclohexyl)oxyphenyl]-1,3,2-dioxaborolane
CID 157140206

Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane?
The IUPAC name of [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane (CID 174098831) is [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane.
What is the SMILES notation for [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane?
The canonical SMILES for [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane is CC1(C)OB(c2ccc(Oc3cccc(OC4CC4)c3P)cc2)OC1(C)C.
What is the InChIKey of [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane?
The InChIKey is GDGSOHOPAIAUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26BO4P/c1-20(2)21(3,4)26-22(25-20)14-8-10-15(11-9-14)23-17-6-5-7-18(19(17)27)24-16-12-13-16/h5-11,16H,12-13,27H2,1-4H3.
What are the key properties of [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane?
[2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane has a molecular weight of 384.22 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyloxy-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenoxy]phenyl]phosphane is sourced from PubChem (CID 174098831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).