6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid

C30H30BrO2P — CID 13457318

IUPAC6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid
SMILESO=C(O)C(CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30BrO2P/c31-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27,28-21-11-4-12-22-28)24-14-13-23-29(30(32)33)25-15-5-1-6-16-25/h1-12,15-22,29H,13-14,23-24H2,(H,32,33)
InChIKeyOWLXBGLCYMJMGD-UHFFFAOYSA-N
MW533.45 g/mol
LogP6.86
Rot. Bonds10

About 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid

6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid (PubChem CID 13457318) has the molecular formula C30H30BrO2P and a molecular weight of 533.45 g/mol. Its IUPAC name is 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid.

Molecular Properties

Compound Name6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid
PubChem CID13457318
Molecular FormulaC30H30BrO2P
Molecular Weight533.45 g/mol
Exact Mass532.12
IUPAC Name6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid
SMILESO=C(O)C(CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C30H30BrO2P/c31-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27,28-21-11-4-12-22-28)24-14-13-23-29(30(32)33)25-15-5-1-6-16-25/h1-12,15-22,29H,13-14,23-24H2,(H,32,33)
InChIKeyOWLXBGLCYMJMGD-UHFFFAOYSA-N
XLogP6.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.45
LogP ≤ 56.86
H-Bond Donors ≤ 51
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

7-methyl-2-phenyloctanoic acid
CID 83162771
6-iodo-2-phenylhexanoic acid
CID 134916404
5-hydroxy-2-phenylpentanoic acid
CID 79006638
2-phenyloctadecanedioic acid
CID 23016344
20-[bromo(triphenyl)-λ5-phosphanyl]icosanoic acid
CID 174180824
(2S)-2,5-diphenylpentanoic acid
CID 7054365
6-iodo-2-phenylheptanoic acid
CID 134916337
2-phenylhept-6-ynoic acid
CID 81008410
10-hydroxy-2-phenyloctadecanoic acid
CID 67642354
bromo-decyl-triphenyl-lambda5-phosphane
CID 13370783
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
3-[bromo(triphenyl)-λ5-phosphanyl]propan-1-amine
CID 140662780

Frequently Asked Questions

What is the IUPAC name of 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid?
The IUPAC name of 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid (CID 13457318) is 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid.
What is the SMILES notation for 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid?
The canonical SMILES for 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid is O=C(O)C(CCCCP(Br)(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid?
The InChIKey is OWLXBGLCYMJMGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30BrO2P/c31-34(26-17-7-2-8-18-26,27-19-9-3-10-20-27,28-21-11-4-12-22-28)24-14-13-23-29(30(32)33)25-15-5-1-6-16-25/h1-12,15-22,29H,13-14,23-24H2,(H,32,33).
What are the key properties of 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid?
6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid has a molecular weight of 533.45 g/mol, XLogP of 6.86, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[bromo(triphenyl)-lambda5-phosphanyl]-2-phenylhexanoic acid is sourced from PubChem (CID 13457318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).