9,9-dimethylxanthene;(4-ethenylphenyl)phosphane

C23H23OP — CID 175131716

IUPAC9,9-dimethylxanthene;(4-ethenylphenyl)phosphane
SMILESC=Cc1ccc(P)cc1.CC1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O.C8H9P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-2-7-3-5-8(9)6-4-7/h3-10H,1-2H3;2-6H,1,9H2
InChIKeySPKVWFXHYZUPOU-UHFFFAOYSA-N
MW346.41 g/mol
LogP5.95
Rot. Bonds1

About 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane

9,9-dimethylxanthene;(4-ethenylphenyl)phosphane (PubChem CID 175131716) has the molecular formula C23H23OP and a molecular weight of 346.41 g/mol. Its IUPAC name is 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane.

Molecular Properties

Compound Name9,9-dimethylxanthene;(4-ethenylphenyl)phosphane
PubChem CID175131716
Molecular FormulaC23H23OP
Molecular Weight346.41 g/mol
Exact Mass346.15
IUPAC Name9,9-dimethylxanthene;(4-ethenylphenyl)phosphane
SMILESC=Cc1ccc(P)cc1.CC1(C)c2ccccc2Oc2ccccc21
InChIInChI=1S/C15H14O.C8H9P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-2-7-3-5-8(9)6-4-7/h3-10H,1-2H3;2-6H,1,9H2
InChIKeySPKVWFXHYZUPOU-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.41
LogP ≤ 55.95
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;(4-ethenylphenyl)phosphane?
The IUPAC name of 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane (CID 175131716) is 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane.
What is the SMILES notation for 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane?
The canonical SMILES for 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane is C=Cc1ccc(P)cc1.CC1(C)c2ccccc2Oc2ccccc21.
What is the InChIKey of 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane?
The InChIKey is SPKVWFXHYZUPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O.C8H9P/c1-15(2)11-7-3-5-9-13(11)16-14-10-6-4-8-12(14)15;1-2-7-3-5-8(9)6-4-7/h3-10H,1-2H3;2-6H,1,9H2.
What are the key properties of 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane?
9,9-dimethylxanthene;(4-ethenylphenyl)phosphane has a molecular weight of 346.41 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,9-dimethylxanthene;(4-ethenylphenyl)phosphane is sourced from PubChem (CID 175131716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).