bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane

C39H51O2P — CID 14876086

IUPACbis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane
SMILESCc1ccc2ccccc2c1P(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C39H51O2P/c1-26-18-19-27-16-14-15-17-30(27)35(26)42(40-33-22-20-28(36(2,3)4)24-31(33)38(8,9)10)41-34-23-21-29(37(5,6)7)25-32(34)39(11,12)13/h14-25H,1-13H3
InChIKeyPFTNPZCJPIHJIP-UHFFFAOYSA-N
MW582.81 g/mol
LogP11.43
Rot. Bonds5

About bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane

bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane (PubChem CID 14876086) has the molecular formula C39H51O2P and a molecular weight of 582.81 g/mol. Its IUPAC name is bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane.

Molecular Properties

Compound Namebis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane
PubChem CID14876086
Molecular FormulaC39H51O2P
Molecular Weight582.81 g/mol
Exact Mass582.36
IUPAC Namebis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane
SMILESCc1ccc2ccccc2c1P(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C39H51O2P/c1-26-18-19-27-16-14-15-17-30(27)35(26)42(40-33-22-20-28(36(2,3)4)24-31(33)38(8,9)10)41-34-23-21-29(37(5,6)7)25-32(34)39(11,12)13/h14-25H,1-13H3
InChIKeyPFTNPZCJPIHJIP-UHFFFAOYSA-N
XLogP11.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.81
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3,5-Trimethyl-2,4,6-tris(3,5-di-tert-butyl-4-hydroxybenzyl)benzene
CID 74370
Tris(2,4-di-tert-butylphenyl) phosphite
CID 91601
Tetrakis(2,4-di-tert-butylphenyl) (1,1-biphenyl)-4,4'-diylbisphosphonite
CID 93207
2,4,8,10-Tetraoxa-3,9-diphosphaspiro(5.5)undecane, 3,9-bis(2,4-bis(1-methyl-1-phenylethyl)phenoxy)-
CID 164499
Tris(2,4-DI-tert-butylphenyl)phosphate
CID 14572930
4,4'-Isopropylidenebis(2-tert-butylphenol) bis(4-nonylphenyl) phosphite
CID 88417
6-(4-Hydroxy-phenyl)-1-phenyl-naphthalen-2-ol
CID 10171886
6-(3-Hydroxyphenyl)-1-phenyl-2-naphthol
CID 24894072
Phosphoric acid, (1-methyl-1-phenylethyl)phenyl nonylphenyl phenyl ester
CID 91684
Phenol, 2,4-bis(1,1-dimethylethyl)-5-methyl-, 1,1',1''-phosphite
CID 111787
Tetrakis(2,4-di-tert-butyl-5-methylphenyl) [1,1'-biphenyl]-2,3-diylbis(phosphonite)
CID 22672285
(+-)-1,1'-Binaphthyl-2,2'-diyl hydrogen phosphate
CID 99589

Frequently Asked Questions

What is the IUPAC name of bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane?
The IUPAC name of bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane (CID 14876086) is bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane.
What is the SMILES notation for bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane?
The canonical SMILES for bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane is Cc1ccc2ccccc2c1P(Oc1ccc(C(C)(C)C)cc1C(C)(C)C)Oc1ccc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane?
The InChIKey is PFTNPZCJPIHJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H51O2P/c1-26-18-19-27-16-14-15-17-30(27)35(26)42(40-33-22-20-28(36(2,3)4)24-31(33)38(8,9)10)41-34-23-21-29(37(5,6)7)25-32(34)39(11,12)13/h14-25H,1-13H3.
What are the key properties of bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane?
bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane has a molecular weight of 582.81 g/mol, XLogP of 11.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4-ditert-butylphenoxy)-(2-methylnaphthalen-1-yl)phosphane is sourced from PubChem (CID 14876086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).