(4-tert-butylphenyl)-diphenylphosphorylmethanone

C23H23O2P — CID 21464702

IUPAC(4-tert-butylphenyl)-diphenylphosphorylmethanone
SMILESCC(C)(C)c1ccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23O2P/c1-23(2,3)19-16-14-18(15-17-19)22(24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,1-3H3
InChIKeyOVDYCAUPPUEIJO-UHFFFAOYSA-N
MW362.41 g/mol
LogP5.14
Rot. Bonds4

About (4-tert-butylphenyl)-diphenylphosphorylmethanone

(4-tert-butylphenyl)-diphenylphosphorylmethanone (PubChem CID 21464702) has the molecular formula C23H23O2P and a molecular weight of 362.41 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylphosphorylmethanone.

Molecular Properties

Compound Name(4-tert-butylphenyl)-diphenylphosphorylmethanone
PubChem CID21464702
Molecular FormulaC23H23O2P
Molecular Weight362.41 g/mol
Exact Mass362.14
IUPAC Name(4-tert-butylphenyl)-diphenylphosphorylmethanone
SMILESCC(C)(C)c1ccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23O2P/c1-23(2,3)19-16-14-18(15-17-19)22(24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,1-3H3
InChIKeyOVDYCAUPPUEIJO-UHFFFAOYSA-N
XLogP5.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.41
LogP ≤ 55.14
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

diphenylphosphoryl 4-tert-butylbenzoate
CID 150039694
bis(4-methylphenyl)phosphoryl-(4-methylphenyl)methanone
CID 154663446
diphenylphosphoryl-(3-methylphenyl)methanone
CID 57182272
diphenylphosphoryl-(4-pyrrolidin-1-ylphenyl)methanone
CID 152573672
copper 4-tert-butylbenzoic acid
CID 54604773
CID 67550053
CID 67550053
4-tert-butylbenzoic acid;copper
CID 67780260
N-(4-tert-butylphenyl)-4-phenylbenzamide
CID 7914209
N'-(4-tert-butylphenyl)benzohydrazide
CID 2813094
4-tert-butyl-N-(2-methylphenyl)benzamide
CID 139185103
(4-tert-butylphenyl)-di(propan-2-yloxy)phosphorylmethanone
CID 134872284
CID 175176965
CID 175176965

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylphosphorylmethanone?
The IUPAC name of (4-tert-butylphenyl)-diphenylphosphorylmethanone (CID 21464702) is (4-tert-butylphenyl)-diphenylphosphorylmethanone.
What is the SMILES notation for (4-tert-butylphenyl)-diphenylphosphorylmethanone?
The canonical SMILES for (4-tert-butylphenyl)-diphenylphosphorylmethanone is CC(C)(C)c1ccc(C(=O)P(=O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of (4-tert-butylphenyl)-diphenylphosphorylmethanone?
The InChIKey is OVDYCAUPPUEIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23O2P/c1-23(2,3)19-16-14-18(15-17-19)22(24)26(25,20-10-6-4-7-11-20)21-12-8-5-9-13-21/h4-17H,1-3H3.
What are the key properties of (4-tert-butylphenyl)-diphenylphosphorylmethanone?
(4-tert-butylphenyl)-diphenylphosphorylmethanone has a molecular weight of 362.41 g/mol, XLogP of 5.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-tert-butylphenyl)-diphenylphosphorylmethanone is sourced from PubChem (CID 21464702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).