[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol

C21H21O3P — CID 153279008

IUPAC[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
SMILESCOc1ccccc1P(c1ccccc1CO)c1ccccc1OC
InChIInChI=1S/C21H21O3P/c1-23-17-10-4-7-13-20(17)25(19-12-6-3-9-16(19)15-22)21-14-8-5-11-18(21)24-2/h3-14,22H,15H2,1-2H3
InChIKeyYAZHQVFOKPVVMO-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.95
Rot. Bonds6

About [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol

[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol (PubChem CID 153279008) has the molecular formula C21H21O3P and a molecular weight of 352.37 g/mol. Its IUPAC name is [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol.

Molecular Properties

Compound Name[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
PubChem CID153279008
Molecular FormulaC21H21O3P
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol
SMILESCOc1ccccc1P(c1ccccc1CO)c1ccccc1OC
InChIInChI=1S/C21H21O3P/c1-23-17-10-4-7-13-20(17)25(19-12-6-3-9-16(19)15-22)21-14-8-5-11-18(21)24-2/h3-14,22H,15H2,1-2H3
InChIKeyYAZHQVFOKPVVMO-UHFFFAOYSA-N
XLogP2.95
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bis(2-methoxyphenyl)phosphanylphenyl]methanol?
The IUPAC name of [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol (CID 153279008) is [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol.
What is the SMILES notation for [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol?
The canonical SMILES for [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol is COc1ccccc1P(c1ccccc1CO)c1ccccc1OC.
What is the InChIKey of [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol?
The InChIKey is YAZHQVFOKPVVMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21O3P/c1-23-17-10-4-7-13-20(17)25(19-12-6-3-9-16(19)15-22)21-14-8-5-11-18(21)24-2/h3-14,22H,15H2,1-2H3.
What are the key properties of [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol?
[2-bis(2-methoxyphenyl)phosphanylphenyl]methanol has a molecular weight of 352.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-bis(2-methoxyphenyl)phosphanylphenyl]methanol is sourced from PubChem (CID 153279008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).