5-(4-phenylphenyl)-2-phosphonopentanoic acid

C17H19O5P — CID 10065452

IUPAC5-(4-phenylphenyl)-2-phosphonopentanoic acid
SMILESO=C(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H19O5P/c18-17(19)16(23(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H,18,19)(H2,20,21,22)
InChIKeyQNIGGUIVSJGJNF-UHFFFAOYSA-N
MW334.31 g/mol
LogP3.31
Rot. Bonds7

About 5-(4-phenylphenyl)-2-phosphonopentanoic acid

5-(4-phenylphenyl)-2-phosphonopentanoic acid (PubChem CID 10065452) has the molecular formula C17H19O5P and a molecular weight of 334.31 g/mol. Its IUPAC name is 5-(4-phenylphenyl)-2-phosphonopentanoic acid.

Molecular Properties

Compound Name5-(4-phenylphenyl)-2-phosphonopentanoic acid
PubChem CID10065452
Molecular FormulaC17H19O5P
Molecular Weight334.31 g/mol
Exact Mass334.10
IUPAC Name5-(4-phenylphenyl)-2-phosphonopentanoic acid
SMILESO=C(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O
InChIInChI=1S/C17H19O5P/c18-17(19)16(23(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H,18,19)(H2,20,21,22)
InChIKeyQNIGGUIVSJGJNF-UHFFFAOYSA-N
XLogP3.31
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.31
LogP ≤ 53.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-5-(4-phenylphenyl)pentanoic acid
CID 56631136
ethane;2-methyl-4-(4-phenylphenyl)butanoic acid
CID 144791729
5-[4-(3-chlorophenyl)phenyl]-2-methylpentanoic acid
CID 154249541
4-(4-phenylphenyl)butan-1-ol
CID 11970468
2-[[ethyl(hydroxy)phosphoryl]methyl]-3-(4-phenylphenyl)propanoic acid
CID 90197101
6-(4-phenylphenyl)hexan-3-ylphosphane
CID 90991744
(2S)-2,5-diphenylpentanoic acid
CID 7054365
3-methyl-6-phenylhexan-2-one
CID 59396975
4-butyl-N'-(4-phenylbenzoyl)benzohydrazide
CID 4296967
2-[bis(phosphonomethyl)amino]-3-phenylpropanoic acid
CID 23728656
5-(4-phenylphenyl)-4-(phosphonomethylamino)pentanoic acid
CID 19427743
tripotassium;4-[4-(4-butylphenyl)phenyl]-1-phosphonobutane-1-sulfonic acid;hydride
CID 173007679

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenylphenyl)-2-phosphonopentanoic acid?
The IUPAC name of 5-(4-phenylphenyl)-2-phosphonopentanoic acid (CID 10065452) is 5-(4-phenylphenyl)-2-phosphonopentanoic acid.
What is the SMILES notation for 5-(4-phenylphenyl)-2-phosphonopentanoic acid?
The canonical SMILES for 5-(4-phenylphenyl)-2-phosphonopentanoic acid is O=C(O)C(CCCc1ccc(-c2ccccc2)cc1)P(=O)(O)O.
What is the InChIKey of 5-(4-phenylphenyl)-2-phosphonopentanoic acid?
The InChIKey is QNIGGUIVSJGJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O5P/c18-17(19)16(23(20,21)22)8-4-5-13-9-11-15(12-10-13)14-6-2-1-3-7-14/h1-3,6-7,9-12,16H,4-5,8H2,(H,18,19)(H2,20,21,22).
What are the key properties of 5-(4-phenylphenyl)-2-phosphonopentanoic acid?
5-(4-phenylphenyl)-2-phosphonopentanoic acid has a molecular weight of 334.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenylphenyl)-2-phosphonopentanoic acid is sourced from PubChem (CID 10065452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).