(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

C27H39O4P — CID 18514070

IUPAC(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
SMILESCc1cccc(C)c1C(=O)Pc1c(OC(C)(C)C)cc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C27H39O4P/c1-17-13-12-14-18(2)22(17)24(28)32-23-20(30-26(6,7)8)15-19(29-25(3,4)5)16-21(23)31-27(9,10)11/h12-16,32H,1-11H3
InChIKeyUBODQYXMISURAP-UHFFFAOYSA-N
MW458.58 g/mol
LogP6.98
Rot. Bonds6

About (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone

(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (PubChem CID 18514070) has the molecular formula C27H39O4P and a molecular weight of 458.58 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
PubChem CID18514070
Molecular FormulaC27H39O4P
Molecular Weight458.58 g/mol
Exact Mass458.26
IUPAC Name(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone
SMILESCc1cccc(C)c1C(=O)Pc1c(OC(C)(C)C)cc(OC(C)(C)C)cc1OC(C)(C)C
InChIInChI=1S/C27H39O4P/c1-17-13-12-14-18(2)22(17)24(28)32-23-20(30-26(6,7)8)15-19(29-25(3,4)5)16-21(23)31-27(9,10)11/h12-16,32H,1-11H3
InChIKeyUBODQYXMISURAP-UHFFFAOYSA-N
XLogP6.98
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.58
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The IUPAC name of (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone (CID 18514070) is (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The canonical SMILES for (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is Cc1cccc(C)c1C(=O)Pc1c(OC(C)(C)C)cc(OC(C)(C)C)cc1OC(C)(C)C.
What is the InChIKey of (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
The InChIKey is UBODQYXMISURAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39O4P/c1-17-13-12-14-18(2)22(17)24(28)32-23-20(30-26(6,7)8)15-19(29-25(3,4)5)16-21(23)31-27(9,10)11/h12-16,32H,1-11H3.
What are the key properties of (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone?
(2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone has a molecular weight of 458.58 g/mol, XLogP of 6.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[2,4,6-tris[(2-methylpropan-2-yl)oxy]phenyl]phosphanylmethanone is sourced from PubChem (CID 18514070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).