bis(diphenylphosphane);ethanol

C26H28OP2 — CID 175242741

IUPACbis(diphenylphosphane);ethanol
SMILESCCO.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C2H6O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3/h2*1-10,13H;3H,2H2,1H3
InChIKeyCPYHKLMBNVLZIP-UHFFFAOYSA-N
MW418.46 g/mol
LogP4.63
Rot. Bonds4

About bis(diphenylphosphane);ethanol

bis(diphenylphosphane);ethanol (PubChem CID 175242741) has the molecular formula C26H28OP2 and a molecular weight of 418.46 g/mol. Its IUPAC name is bis(diphenylphosphane);ethanol.

Molecular Properties

Compound Namebis(diphenylphosphane);ethanol
PubChem CID175242741
Molecular FormulaC26H28OP2
Molecular Weight418.46 g/mol
Exact Mass418.16
IUPAC Namebis(diphenylphosphane);ethanol
SMILESCCO.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1
InChIInChI=1S/2C12H11P.C2H6O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3/h2*1-10,13H;3H,2H2,1H3
InChIKeyCPYHKLMBNVLZIP-UHFFFAOYSA-N
XLogP4.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 54.63
H-Bond Donors ≤ 51
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 bis(diphenylphosphane);ethanol?
The IUPAC name of bis(diphenylphosphane);ethanol (CID 175242741) is bis(diphenylphosphane);ethanol.
What is the SMILES notation for bis(diphenylphosphane);ethanol?
The canonical SMILES for bis(diphenylphosphane);ethanol is CCO.c1ccc(Pc2ccccc2)cc1.c1ccc(Pc2ccccc2)cc1.
What is the InChIKey of bis(diphenylphosphane);ethanol?
The InChIKey is CPYHKLMBNVLZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H11P.C2H6O/c2*1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;1-2-3/h2*1-10,13H;3H,2H2,1H3.
What are the key properties of bis(diphenylphosphane);ethanol?
bis(diphenylphosphane);ethanol has a molecular weight of 418.46 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diphenylphosphane);ethanol is sourced from PubChem (CID 175242741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).