(3,5-ditert-butylphenoxy)phosphane

C14H23OP — CID 59664555

IUPAC(3,5-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1cc(OP)cc(C(C)(C)C)c1
InChIInChI=1S/C14H23OP/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15-16/h7-9H,16H2,1-6H3
InChIKeyAEUBIPQICBFCGU-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.45
Rot. Bonds1

About (3,5-ditert-butylphenoxy)phosphane

(3,5-ditert-butylphenoxy)phosphane (PubChem CID 59664555) has the molecular formula C14H23OP and a molecular weight of 238.31 g/mol. Its IUPAC name is (3,5-ditert-butylphenoxy)phosphane.

Molecular Properties

Compound Name(3,5-ditert-butylphenoxy)phosphane
PubChem CID59664555
Molecular FormulaC14H23OP
Molecular Weight238.31 g/mol
Exact Mass238.15
IUPAC Name(3,5-ditert-butylphenoxy)phosphane
SMILESCC(C)(C)c1cc(OP)cc(C(C)(C)C)c1
InChIInChI=1S/C14H23OP/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15-16/h7-9H,16H2,1-6H3
InChIKeyAEUBIPQICBFCGU-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

terbium;bis(1,3,5-tritert-butylbenzene)
CID 134902614
1,3-ditert-butyl-5-[(3,5-ditert-butylphenoxy)methoxy]benzene
CID 21044549
ethane;methane;1,3,5-tritert-butylbenzene
CID 144683024
2-(3,5-ditert-butylphenoxy)-2-methylpropan-1-amine
CID 63487662
1-butoxy-3,5-ditert-butylbenzene
CID 57175272
1-tert-butyl-3,5-bis(2-methoxypropan-2-yl)benzene
CID 141239687
(3,5-ditert-butylphenyl) prop-2-enoate
CID 46835728
diiodopalladium;bis(tris(3,5-ditert-butylphenyl)phosphanium)
CID 153412297
1,3-ditert-butyl-5-[2-(4-methylphenoxy)ethoxy]benzene
CID 86190346
2-[3-[3,5-bis(2-hydroxypropan-2-yl)phenoxy]-5-(2-hydroxypropan-2-yl)phenyl]propan-2-ol
CID 66722128
(3,5-ditert-butylphenyl) 3,3-dimethyl-2-methylidenebutanoate
CID 134438565
(3,5-ditert-butylphenyl) 2,2-dimethylbutanoate
CID 90306744

Frequently Asked Questions

What is the IUPAC name of (3,5-ditert-butylphenoxy)phosphane?
The IUPAC name of (3,5-ditert-butylphenoxy)phosphane (CID 59664555) is (3,5-ditert-butylphenoxy)phosphane.
What is the SMILES notation for (3,5-ditert-butylphenoxy)phosphane?
The canonical SMILES for (3,5-ditert-butylphenoxy)phosphane is CC(C)(C)c1cc(OP)cc(C(C)(C)C)c1.
What is the InChIKey of (3,5-ditert-butylphenoxy)phosphane?
The InChIKey is AEUBIPQICBFCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23OP/c1-13(2,3)10-7-11(14(4,5)6)9-12(8-10)15-16/h7-9H,16H2,1-6H3.
What are the key properties of (3,5-ditert-butylphenoxy)phosphane?
(3,5-ditert-butylphenoxy)phosphane has a molecular weight of 238.31 g/mol, XLogP of 4.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-ditert-butylphenoxy)phosphane is sourced from PubChem (CID 59664555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).