2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol

C22H22FO5P — CID 139543737

IUPAC2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol
SMILESCOc1cccc(OC)c1P(c1cccc(F)c1O)c1c(OC)cccc1OC
InChIInChI=1S/C22H22FO5P/c1-25-15-9-6-10-16(26-2)21(15)29(19-13-5-8-14(23)20(19)24)22-17(27-3)11-7-12-18(22)28-4/h5-13,24H,1-4H3
InChIKeyYHHWPRPLHFZTJY-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.32
Rot. Bonds7

About 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol

2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol (PubChem CID 139543737) has the molecular formula C22H22FO5P and a molecular weight of 416.39 g/mol. Its IUPAC name is 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol.

Molecular Properties

Compound Name2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol
PubChem CID139543737
Molecular FormulaC22H22FO5P
Molecular Weight416.39 g/mol
Exact Mass416.12
IUPAC Name2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol
SMILESCOc1cccc(OC)c1P(c1cccc(F)c1O)c1c(OC)cccc1OC
InChIInChI=1S/C22H22FO5P/c1-25-15-9-6-10-16(26-2)21(15)29(19-13-5-8-14(23)20(19)24)22-17(27-3)11-7-12-18(22)28-4/h5-13,24H,1-4H3
InChIKeyYHHWPRPLHFZTJY-UHFFFAOYSA-N
XLogP3.32
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol?
The IUPAC name of 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol (CID 139543737) is 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol.
What is the SMILES notation for 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol?
The canonical SMILES for 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol is COc1cccc(OC)c1P(c1cccc(F)c1O)c1c(OC)cccc1OC.
What is the InChIKey of 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol?
The InChIKey is YHHWPRPLHFZTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FO5P/c1-25-15-9-6-10-16(26-2)21(15)29(19-13-5-8-14(23)20(19)24)22-17(27-3)11-7-12-18(22)28-4/h5-13,24H,1-4H3.
What are the key properties of 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol?
2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol has a molecular weight of 416.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2,6-dimethoxyphenyl)phosphanyl-6-fluorophenol is sourced from PubChem (CID 139543737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).