2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol

C36H35O3P — CID 58418900

IUPAC2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol
SMILESCc1cccc(Oc2ccccc2)c1P(c1cccc(C(C)(C)C)c1O)c1c(C)cccc1Oc1ccccc1
InChIInChI=1S/C36H35O3P/c1-25-15-12-22-30(38-27-17-8-6-9-18-27)34(25)40(32-24-14-21-29(33(32)37)36(3,4)5)35-26(2)16-13-23-31(35)39-28-19-10-7-11-20-28/h6-24,37H,1-5H3
InChIKeyFBCLQYQPGRVFDS-UHFFFAOYSA-N
MW546.65 g/mol
LogP8.65
Rot. Bonds7

About 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol

2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol (PubChem CID 58418900) has the molecular formula C36H35O3P and a molecular weight of 546.65 g/mol. Its IUPAC name is 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol.

Molecular Properties

Compound Name2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol
PubChem CID58418900
Molecular FormulaC36H35O3P
Molecular Weight546.65 g/mol
Exact Mass546.23
IUPAC Name2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol
SMILESCc1cccc(Oc2ccccc2)c1P(c1cccc(C(C)(C)C)c1O)c1c(C)cccc1Oc1ccccc1
InChIInChI=1S/C36H35O3P/c1-25-15-12-22-30(38-27-17-8-6-9-18-27)34(25)40(32-24-14-21-29(33(32)37)36(3,4)5)35-26(2)16-13-23-31(35)39-28-19-10-7-11-20-28/h6-24,37H,1-5H3
InChIKeyFBCLQYQPGRVFDS-UHFFFAOYSA-N
XLogP8.65
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.65
LogP ≤ 58.65
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-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol?
The IUPAC name of 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol (CID 58418900) is 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol.
What is the SMILES notation for 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol?
The canonical SMILES for 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol is Cc1cccc(Oc2ccccc2)c1P(c1cccc(C(C)(C)C)c1O)c1c(C)cccc1Oc1ccccc1.
What is the InChIKey of 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol?
The InChIKey is FBCLQYQPGRVFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H35O3P/c1-25-15-12-22-30(38-27-17-8-6-9-18-27)34(25)40(32-24-14-21-29(33(32)37)36(3,4)5)35-26(2)16-13-23-31(35)39-28-19-10-7-11-20-28/h6-24,37H,1-5H3.
What are the key properties of 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol?
2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol has a molecular weight of 546.65 g/mol, XLogP of 8.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bis(2-methyl-6-phenoxyphenyl)phosphanyl-6-tert-butylphenol is sourced from PubChem (CID 58418900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).