[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane

C26H23O2P — CID 71651621

IUPAC[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-19H,1-2H3
InChIKeySCPQRAVWOIURIW-UHFFFAOYSA-N
MW398.44 g/mol
LogP5.13
Rot. Bonds6

About [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane

[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane (PubChem CID 71651621) has the molecular formula C26H23O2P and a molecular weight of 398.44 g/mol. Its IUPAC name is [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane.

Molecular Properties

Compound Name[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane
PubChem CID71651621
Molecular FormulaC26H23O2P
Molecular Weight398.44 g/mol
Exact Mass398.14
IUPAC Name[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane
SMILESCOc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-19H,1-2H3
InChIKeySCPQRAVWOIURIW-UHFFFAOYSA-N
XLogP5.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.44
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane?
The IUPAC name of [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane (CID 71651621) is [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane.
What is the SMILES notation for [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane?
The canonical SMILES for [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane is COc1cccc(OC)c1-c1ccccc1P(c1ccccc1)c1ccccc1.
What is the InChIKey of [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane?
The InChIKey is SCPQRAVWOIURIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23O2P/c1-27-23-17-11-18-24(28-2)26(23)22-16-9-10-19-25(22)29(20-12-5-3-6-13-20)21-14-7-4-8-15-21/h3-19H,1-2H3.
What are the key properties of [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane?
[2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane has a molecular weight of 398.44 g/mol, XLogP of 5.13, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethoxyphenyl)phenyl]-diphenylphosphane is sourced from PubChem (CID 71651621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).