2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone

C20H33OP — CID 175045798

IUPAC2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone
SMILESCCCCc1ccc(C(=O)CP)c(CCCC)c1CCCC
InChIInChI=1S/C20H33OP/c1-4-7-10-16-13-14-19(20(21)15-22)18(12-9-6-3)17(16)11-8-5-2/h13-14H,4-12,15,22H2,1-3H3
InChIKeyCQLIDOAESJIUDC-UHFFFAOYSA-N
MW320.46 g/mol
LogP5.77
Rot. Bonds11

About 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone

2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone (PubChem CID 175045798) has the molecular formula C20H33OP and a molecular weight of 320.46 g/mol. Its IUPAC name is 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone.

Molecular Properties

Compound Name2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone
PubChem CID175045798
Molecular FormulaC20H33OP
Molecular Weight320.46 g/mol
Exact Mass320.23
IUPAC Name2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone
SMILESCCCCc1ccc(C(=O)CP)c(CCCC)c1CCCC
InChIInChI=1S/C20H33OP/c1-4-7-10-16-13-14-19(20(21)15-22)18(12-9-6-3)17(16)11-8-5-2/h13-14H,4-12,15,22H2,1-3H3
InChIKeyCQLIDOAESJIUDC-UHFFFAOYSA-N
XLogP5.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.46
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

iron;1-(2,3,4-tributylphenyl)ethanone
CID 70631281
1,2,3,4-tetrabutylbenzene
CID 11220391
3,4-dibutylbenzene-1,2-dicarboxamide
CID 175393546
3,4-dibutylphthalic acid;silicic acid
CID 67175411
bis(3,4-dibutylphthalic acid);3,4-di(nonyl)phthalic acid
CID 87150790
3-nonyl-4-octylphthalic acid
CID 54095595
2,4-dibutylbenzene-1,3-dicarboxylic acid
CID 23617934
2-hydroxy-3,4-di(pentadecyl)benzoic acid
CID 139798783
(2,3-dibutylphenyl)phosphane
CID 19901991
3,4-dioctylphthalic acid;2-methylpropan-2-ol
CID 175089754
4-butyl-2-decyl-3-octylphenol
CID 66866306
2,3-dibutyl-4-nonylphenol
CID 23325139

Frequently Asked Questions

What is the IUPAC name of 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone?
The IUPAC name of 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone (CID 175045798) is 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone.
What is the SMILES notation for 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone?
The canonical SMILES for 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone is CCCCc1ccc(C(=O)CP)c(CCCC)c1CCCC.
What is the InChIKey of 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone?
The InChIKey is CQLIDOAESJIUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33OP/c1-4-7-10-16-13-14-19(20(21)15-22)18(12-9-6-3)17(16)11-8-5-2/h13-14H,4-12,15,22H2,1-3H3.
What are the key properties of 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone?
2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone has a molecular weight of 320.46 g/mol, XLogP of 5.77, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphanyl-1-(2,3,4-tributylphenyl)ethanone is sourced from PubChem (CID 175045798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).