5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid

C15H23O5P — CID 175265202

IUPAC5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid
SMILESCC(CCOP(=O)(O)CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23O5P/c1-13(14-7-3-2-4-8-14)10-11-20-21(18,19)12-6-5-9-15(16)17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUHGLUVBVYNYHP-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.64
Rot. Bonds10

About 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid

5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid (PubChem CID 175265202) has the molecular formula C15H23O5P and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid.

Molecular Properties

Compound Name5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid
PubChem CID175265202
Molecular FormulaC15H23O5P
Molecular Weight314.32 g/mol
Exact Mass314.13
IUPAC Name5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid
SMILESCC(CCOP(=O)(O)CCCCC(=O)O)c1ccccc1
InChIInChI=1S/C15H23O5P/c1-13(14-7-3-2-4-8-14)10-11-20-21(18,19)12-6-5-9-15(16)17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,17)(H,18,19)
InChIKeyKUHGLUVBVYNYHP-UHFFFAOYSA-N
XLogP3.64
TPSA83.83 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-oxo-6-(3-phenylbutylamino)hexanoic acid
CID 62987507
[(3R)-3-phenylbutyl] acetate
CID 12598598
barium(2+);bis(17-phenyloctadecanoate)
CID 101320102
10-[ethoxy(hydroxy)phosphoryl]decanoic acid
CID 22016460
5-oxo-5-(3-phenylbutylamino)pentanoic acid
CID 62987506
3-phenylbutyl pentanoate
CID 101292557
4-[3-phenylbutyl(propan-2-yl)amino]butanoic acid
CID 65058636
(3-ethoxy-3-oxopropyl)-(3-phenylbutyl)phosphinic acid
CID 68802721
5-phenylhexyl hexanoate
CID 101292580
12-hydroxytridecyl(phenoxy)phosphinic acid
CID 11360279
cumene;octanoic acid
CID 174815768
7-carboxyheptyl-dimethyl-phenylphosphanium bromide
CID 135362418

Frequently Asked Questions

What is the IUPAC name of 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid?
The IUPAC name of 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid (CID 175265202) is 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid.
What is the SMILES notation for 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid?
The canonical SMILES for 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid is CC(CCOP(=O)(O)CCCCC(=O)O)c1ccccc1.
What is the InChIKey of 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid?
The InChIKey is KUHGLUVBVYNYHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23O5P/c1-13(14-7-3-2-4-8-14)10-11-20-21(18,19)12-6-5-9-15(16)17/h2-4,7-8,13H,5-6,9-12H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid?
5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid has a molecular weight of 314.32 g/mol, XLogP of 3.64, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[hydroxy(3-phenylbutoxy)phosphoryl]pentanoic acid is sourced from PubChem (CID 175265202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).