4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide

C24H30IO2P — CID 170367659

IUPAC4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide
SMILESCCCCCCCCCC(c1ccc(C(=O)I)cc1)c1ccccc1C(=O)P
InChIInChI=1S/C24H30IO2P/c1-2-3-4-5-6-7-8-11-20(18-14-16-19(17-15-18)23(25)26)21-12-9-10-13-22(21)24(27)28/h9-10,12-17,20H,2-8,11,28H2,1H3
InChIKeyOVUXVHASIXULKV-UHFFFAOYSA-N
MW508.38 g/mol
LogP7.55
Rot. Bonds12

About 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide

4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide (PubChem CID 170367659) has the molecular formula C24H30IO2P and a molecular weight of 508.38 g/mol. Its IUPAC name is 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide.

Molecular Properties

Compound Name4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide
PubChem CID170367659
Molecular FormulaC24H30IO2P
Molecular Weight508.38 g/mol
Exact Mass508.10
IUPAC Name4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide
SMILESCCCCCCCCCC(c1ccc(C(=O)I)cc1)c1ccccc1C(=O)P
InChIInChI=1S/C24H30IO2P/c1-2-3-4-5-6-7-8-11-20(18-14-16-19(17-15-18)23(25)26)21-12-9-10-13-22(21)24(27)28/h9-10,12-17,20H,2-8,11,28H2,1H3
InChIKeyOVUXVHASIXULKV-UHFFFAOYSA-N
XLogP7.55
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.38
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;methyl 2-(1-phenylhexadecyl)benzoate
CID 174362485
4-[1-(4-carboxyphenyl)octyl]benzoic acid
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2-(1-phenylnonyl)phenol
CID 67177643
4-hydroxy-3-(1-phenylhexyl)benzoic acid
CID 123966093
2-(1-phenylbutyl)benzoic acid
CID 118163861
[2-[2-(1-naphthalen-2-yldodecyl)phenyl]-2-oxoethyl]sulfanium hexafluorophosphate
CID 139970166
1-iodo-4-(1-phenylheptyl)benzene
CID 57089203
3-docosan-11-ylphthalic acid
CID 67127150
4-[1-(4-heptylphenyl)heptyl]benzoic acid
CID 67568318
1-iodo-4-(1-phenylheptyl)benzene tetrafluoroborate
CID 174509361
2-icosan-9-ylbenzoate
CID 23205653
2-(1-phenylbutyl)benzenecarboperoxoic acid
CID 175075603

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide?
The IUPAC name of 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide (CID 170367659) is 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide.
What is the SMILES notation for 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide?
The canonical SMILES for 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide is CCCCCCCCCC(c1ccc(C(=O)I)cc1)c1ccccc1C(=O)P.
What is the InChIKey of 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide?
The InChIKey is OVUXVHASIXULKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30IO2P/c1-2-3-4-5-6-7-8-11-20(18-14-16-19(17-15-18)23(25)26)21-12-9-10-13-22(21)24(27)28/h9-10,12-17,20H,2-8,11,28H2,1H3.
What are the key properties of 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide?
4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide has a molecular weight of 508.38 g/mol, XLogP of 7.55, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-phosphanylcarbonylphenyl)decyl]benzoyl iodide is sourced from PubChem (CID 170367659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).