5-phenyl-2-(phosphorosomethyl)pentanoic acid

C12H15O3P — CID 172849260

IUPAC5-phenyl-2-(phosphorosomethyl)pentanoic acid
SMILESO=PCC(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15O3P/c13-12(14)11(9-16-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyKXUYUJYVWDWMHN-UHFFFAOYSA-N
MW238.22 g/mol
LogP3.00
Rot. Bonds7

About 5-phenyl-2-(phosphorosomethyl)pentanoic acid

5-phenyl-2-(phosphorosomethyl)pentanoic acid (PubChem CID 172849260) has the molecular formula C12H15O3P and a molecular weight of 238.22 g/mol. Its IUPAC name is 5-phenyl-2-(phosphorosomethyl)pentanoic acid.

Molecular Properties

Compound Name5-phenyl-2-(phosphorosomethyl)pentanoic acid
PubChem CID172849260
Molecular FormulaC12H15O3P
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name5-phenyl-2-(phosphorosomethyl)pentanoic acid
SMILESO=PCC(CCCc1ccccc1)C(=O)O
InChIInChI=1S/C12H15O3P/c13-12(14)11(9-16-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14)
InChIKeyKXUYUJYVWDWMHN-UHFFFAOYSA-N
XLogP3.00
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-benzyl-6-phenylhexanoic acid
CID 131720158
6-phenyl-2-(sulfanylmethyl)hexanoic acid
CID 10900700
2-(3-aminopropyl)-6-phenylhexanoic acid
CID 114335136
2-(benzylsulfanylmethyl)-5-phenylpentanoic acid
CID 18533017
(2S)-2-(hydroxymethyl)-4-phenylbutanoic acid
CID 124707867
(2S)-2,5-diphenylpentanoic acid
CID 7054365
2-[(2-chlorophenyl)methyl]-5-phenylpentanoic acid
CID 63402472
2-(2-cyanoethyl)-6-phenylhexanoic acid
CID 172865631
2-(8-phenyloctyl)propanedioic acid
CID 20544236
2-[2-[(2-hydroxy-2-phenylethyl)amino]ethyl]-5-phenylpentanoic acid
CID 67789654
(2R)-2-(2-methoxy-2-oxoethyl)-6-phenylhexanoic acid
CID 67881897
2-(naphthalen-1-ylmethyl)-5-phenylpentanoic acid
CID 14600094

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(phosphorosomethyl)pentanoic acid?
The IUPAC name of 5-phenyl-2-(phosphorosomethyl)pentanoic acid (CID 172849260) is 5-phenyl-2-(phosphorosomethyl)pentanoic acid.
What is the SMILES notation for 5-phenyl-2-(phosphorosomethyl)pentanoic acid?
The canonical SMILES for 5-phenyl-2-(phosphorosomethyl)pentanoic acid is O=PCC(CCCc1ccccc1)C(=O)O.
What is the InChIKey of 5-phenyl-2-(phosphorosomethyl)pentanoic acid?
The InChIKey is KXUYUJYVWDWMHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15O3P/c13-12(14)11(9-16-15)8-4-7-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,13,14).
What are the key properties of 5-phenyl-2-(phosphorosomethyl)pentanoic acid?
5-phenyl-2-(phosphorosomethyl)pentanoic acid has a molecular weight of 238.22 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-(phosphorosomethyl)pentanoic acid is sourced from PubChem (CID 172849260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).