9,9-dimethylxanthene;phenylphosphane

C21H21OP — CID 155388268

IUPAC9,9-dimethylxanthene;phenylphosphane
SMILESCC1(C)c2ccccc2Oc2ccccc21.Pc1ccccc1
InChIInChI=1S/C15H14O.C6H7P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;7-6-4-2-1-3-5-6/h3-10H,1-2H3;1-5H,7H2
InChIKeyCYWPQIVDNCORPJ-UHFFFAOYSA-N
MW320.37 g/mol
LogP5.31
Rot. Bonds

About 9,9-dimethylxanthene;phenylphosphane

9,9-dimethylxanthene;phenylphosphane (PubChem CID 155388268) has the molecular formula C21H21OP and a molecular weight of 320.37 g/mol. Its IUPAC name is 9,9-dimethylxanthene;phenylphosphane.

Molecular Properties

Compound Name9,9-dimethylxanthene;phenylphosphane
PubChem CID155388268
Molecular FormulaC21H21OP
Molecular Weight320.37 g/mol
Exact Mass320.13
IUPAC Name9,9-dimethylxanthene;phenylphosphane
SMILESCC1(C)c2ccccc2Oc2ccccc21.Pc1ccccc1
InChIInChI=1S/C15H14O.C6H7P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;7-6-4-2-1-3-5-6/h3-10H,1-2H3;1-5H,7H2
InChIKeyCYWPQIVDNCORPJ-UHFFFAOYSA-N
XLogP5.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,9-dimethylxanthene;phenylphosphane?
The IUPAC name of 9,9-dimethylxanthene;phenylphosphane (CID 155388268) is 9,9-dimethylxanthene;phenylphosphane.
What is the SMILES notation for 9,9-dimethylxanthene;phenylphosphane?
The canonical SMILES for 9,9-dimethylxanthene;phenylphosphane is CC1(C)c2ccccc2Oc2ccccc21.Pc1ccccc1.
What is the InChIKey of 9,9-dimethylxanthene;phenylphosphane?
The InChIKey is CYWPQIVDNCORPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C6H7P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;7-6-4-2-1-3-5-6/h3-10H,1-2H3;1-5H,7H2.
What are the key properties of 9,9-dimethylxanthene;phenylphosphane?
9,9-dimethylxanthene;phenylphosphane has a molecular weight of 320.37 g/mol, XLogP of 5.31, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene;phenylphosphane is sourced from PubChem (CID 155388268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).