bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone

C24H25O4P — CID 87156122

IUPACbis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
SMILESCCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25O4P/c1-4-19-8-14-22(15-9-19)27-29(26,24(25)21-12-6-18(3)7-13-21)28-23-16-10-20(5-2)11-17-23/h6-17H,4-5H2,1-3H3
InChIKeyKKLCVLVYAXPISZ-UHFFFAOYSA-N
MW408.43 g/mol
LogP6.61
Rot. Bonds8

About bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone

bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone (PubChem CID 87156122) has the molecular formula C24H25O4P and a molecular weight of 408.43 g/mol. Its IUPAC name is bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone.

Molecular Properties

Compound Namebis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
PubChem CID87156122
Molecular FormulaC24H25O4P
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Namebis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone
SMILESCCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C24H25O4P/c1-4-19-8-14-22(15-9-19)27-29(26,24(25)21-12-6-18(3)7-13-21)28-23-16-10-20(5-2)11-17-23/h6-17H,4-5H2,1-3H3
InChIKeyKKLCVLVYAXPISZ-UHFFFAOYSA-N
XLogP6.61
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.43
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3,5-dimethylphenyl) (4-ethylphenyl) hydrogen phosphate
CID 174775816
bis(4-methylphenoxy)phosphoryl 4-methylbenzenecarboperoxoate
CID 172679442
[2-(4-ethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 902784
ethane;4-ethyl-N-(4-methylphenyl)benzamide
CID 143234775
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
diphenoxyphosphoryl 4-ethylbenzoate
CID 175366295
1-[chloro(methyl)phosphoryl]oxy-4-ethylbenzene
CID 71670381
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
2-bis(4-methylphenoxy)phosphoryl-1-(4-fluorophenyl)ethanone
CID 175041045
propan-2-one;tris(4-methylphenyl) phosphate
CID 174813500
1-ethyl-4-methylbenzene;methane;1-methoxy-4-methylbenzene;1,4-xylene
CID 157430816

Frequently Asked Questions

What is the IUPAC name of bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone?
The IUPAC name of bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone (CID 87156122) is bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone.
What is the SMILES notation for bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone?
The canonical SMILES for bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone is CCc1ccc(OP(=O)(Oc2ccc(CC)cc2)C(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone?
The InChIKey is KKLCVLVYAXPISZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25O4P/c1-4-19-8-14-22(15-9-19)27-29(26,24(25)21-12-6-18(3)7-13-21)28-23-16-10-20(5-2)11-17-23/h6-17H,4-5H2,1-3H3.
What are the key properties of bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone?
bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone has a molecular weight of 408.43 g/mol, XLogP of 6.61, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-ethylphenoxy)phosphoryl-(4-methylphenyl)methanone is sourced from PubChem (CID 87156122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).