(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

C26H37OP — CID 172836977

IUPAC(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCCCCCc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(CCCCC)c1
InChIInChI=1S/C26H37OP/c1-6-8-10-12-22-14-15-24(23(18-22)13-11-9-7-2)28-26(27)25-20(4)16-19(3)17-21(25)5/h14-18,28H,6-13H2,1-5H3
InChIKeyWGXSABFACNJILC-UHFFFAOYSA-N
MW396.56 g/mol
LogP7.22
Rot. Bonds11

About (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone

(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (PubChem CID 172836977) has the molecular formula C26H37OP and a molecular weight of 396.56 g/mol. Its IUPAC name is (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
PubChem CID172836977
Molecular FormulaC26H37OP
Molecular Weight396.56 g/mol
Exact Mass396.26
IUPAC Name(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
SMILESCCCCCc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(CCCCC)c1
InChIInChI=1S/C26H37OP/c1-6-8-10-12-22-14-15-24(23(18-22)13-11-9-7-2)28-26(27)25-20(4)16-19(3)17-21(25)5/h14-18,28H,6-13H2,1-5H3
InChIKeyWGXSABFACNJILC-UHFFFAOYSA-N
XLogP7.22
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.56
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

lithium (2,4-dibutoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18513784
2,4-dimethyl-6-octylbenzoic acid
CID 19963890
[(2,6-dimethylbenzoyl)-(2,4-dipentylphenyl)phosphanyl]-(2,6-dimethylphenyl)methanone
CID 174970752
4-nonyl-2-pentylphenol
CID 86162849
2-ethyl-4-heptyl-1-methylbenzene
CID 58289217
2-butyl-4-[4-(3-butyl-4-methylphenyl)butyl]-1-methylbenzene
CID 123599336
lithium (4-pentoxyphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone
CID 18514482
2-ethyl-4-heptylphenol
CID 58289223
1,2-dimethyl-4-octylbenzene
CID 14044616
2,4-dihexyl-1-methylbenzene;toluene
CID 173347627
2-(4-methyl-3-pentadecylphenyl)acetic acid
CID 141255119
1-(4-hexyl-2-methylphenyl)propan-2-one;1,4-xylene
CID 142206830

Frequently Asked Questions

What is the IUPAC name of (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone (CID 172836977) is (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is CCCCCc1ccc(PC(=O)c2c(C)cc(C)cc2C)c(CCCCC)c1.
What is the InChIKey of (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
The InChIKey is WGXSABFACNJILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37OP/c1-6-8-10-12-22-14-15-24(23(18-22)13-11-9-7-2)28-26(27)25-20(4)16-19(3)17-21(25)5/h14-18,28H,6-13H2,1-5H3.
What are the key properties of (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone?
(2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone has a molecular weight of 396.56 g/mol, XLogP of 7.22, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dipentylphenyl)phosphanyl-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 172836977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).