[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane

C26H23OP — CID 139799875

IUPAC[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane
SMILESCc1ccc(Oc2ccc(-c3ccccc3Pc3ccccc3)cc2)cc1C
InChIInChI=1S/C26H23OP/c1-19-12-15-23(18-20(19)2)27-22-16-13-21(14-17-22)25-10-6-7-11-26(25)28-24-8-4-3-5-9-24/h3-18,28H,1-2H3
InChIKeyAWKFABOTGJFRSE-UHFFFAOYSA-N
MW382.44 g/mol
LogP6.39
Rot. Bonds5

About [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane

[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane (PubChem CID 139799875) has the molecular formula C26H23OP and a molecular weight of 382.44 g/mol. Its IUPAC name is [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane.

Molecular Properties

Compound Name[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane
PubChem CID139799875
Molecular FormulaC26H23OP
Molecular Weight382.44 g/mol
Exact Mass382.15
IUPAC Name[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane
SMILESCc1ccc(Oc2ccc(-c3ccccc3Pc3ccccc3)cc2)cc1C
InChIInChI=1S/C26H23OP/c1-19-12-15-23(18-20(19)2)27-22-16-13-21(14-17-22)25-10-6-7-11-26(25)28-24-8-4-3-5-9-24/h3-18,28H,1-2H3
InChIKeyAWKFABOTGJFRSE-UHFFFAOYSA-N
XLogP6.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.44
LogP ≤ 56.39
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 [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane?
The IUPAC name of [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane (CID 139799875) is [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane.
What is the SMILES notation for [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane?
The canonical SMILES for [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane is Cc1ccc(Oc2ccc(-c3ccccc3Pc3ccccc3)cc2)cc1C.
What is the InChIKey of [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane?
The InChIKey is AWKFABOTGJFRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23OP/c1-19-12-15-23(18-20(19)2)27-22-16-13-21(14-17-22)25-10-6-7-11-26(25)28-24-8-4-3-5-9-24/h3-18,28H,1-2H3.
What are the key properties of [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane?
[2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane has a molecular weight of 382.44 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3,4-dimethylphenoxy)phenyl]phenyl]-phenylphosphane is sourced from PubChem (CID 139799875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).