bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol

C25H29OP — CID 132512078

IUPACbis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
SMILESCc1cc(C)c(P(c2c(C)cc(C)cc2C)C(O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H29OP/c1-16-12-18(3)23(19(4)13-16)27(25(26)22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6/h7-15,25-26H,1-6H3
InChIKeyRLCICODJHZPXJI-UHFFFAOYSA-N
MW376.48 g/mol
LogP5.66
Rot. Bonds4

About bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol

bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol (PubChem CID 132512078) has the molecular formula C25H29OP and a molecular weight of 376.48 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
PubChem CID132512078
Molecular FormulaC25H29OP
Molecular Weight376.48 g/mol
Exact Mass376.20
IUPAC Namebis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol
SMILESCc1cc(C)c(P(c2c(C)cc(C)cc2C)C(O)c2ccccc2)c(C)c1
InChIInChI=1S/C25H29OP/c1-16-12-18(3)23(19(4)13-16)27(25(26)22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6/h7-15,25-26H,1-6H3
InChIKeyRLCICODJHZPXJI-UHFFFAOYSA-N
XLogP5.66
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.48
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

benzhydryl-chloro-(2,4,6-trimethylphenyl)phosphane
CID 13256137
(S)-(2-amino-3,5-dimethylphenyl)-phenylmethanol
CID 799505
(2,4-dimethylphenyl)-phenylmethanol
CID 3807153
(1S)-1-phenylethanol
CID 157125626
(2S,3R)-3-hydroxy-3-phenyl-2-(2,4,6-trimethylphenyl)propanenitrile
CID 102509544
benzyl-methyl-(2,4,6-trimethylphenyl)phosphane
CID 59775575
4-phenyl-4-(2,4,6-trimethylphenyl)butan-2-one
CID 102313835
3,3-diphenyl-1-(2,4,6-trimethylphenyl)propan-1-one
CID 3112974
2-phenyl-2-(2,4,6-trimethylphenyl)acetate
CID 78425392
azane;(1R)-1-phenylethanol
CID 126646564
(1R,2S)-1,2-diphenyl-2-[(2,4,6-trimethylphenyl)methylamino]ethanol
CID 11772348
2,2-bis[bis(2,4,6-trimethylphenyl)phosphanyl]acetonitrile
CID 135069231

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol?
The IUPAC name of bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol (CID 132512078) is bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol?
The canonical SMILES for bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol is Cc1cc(C)c(P(c2c(C)cc(C)cc2C)C(O)c2ccccc2)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol?
The InChIKey is RLCICODJHZPXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29OP/c1-16-12-18(3)23(19(4)13-16)27(25(26)22-10-8-7-9-11-22)24-20(5)14-17(2)15-21(24)6/h7-15,25-26H,1-6H3.
What are the key properties of bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol?
bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol has a molecular weight of 376.48 g/mol, XLogP of 5.66, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)phosphanyl-phenylmethanol is sourced from PubChem (CID 132512078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).