3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid

C23H25O4P — CID 54167353

IUPAC3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid
SMILESCCC(C(C(=O)O)c1ccccc1)P(=O)(O)CCc1cccc2ccccc12
InChIInChI=1S/C23H25O4P/c1-2-21(22(23(24)25)19-10-4-3-5-11-19)28(26,27)16-15-18-13-8-12-17-9-6-7-14-20(17)18/h3-14,21-22H,2,15-16H2,1H3,(H,24,25)(H,26,27)
InChIKeyOSOYMAWOBRLLLT-UHFFFAOYSA-N
MW396.42 g/mol
LogP5.30
Rot. Bonds8

About 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid

3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid (PubChem CID 54167353) has the molecular formula C23H25O4P and a molecular weight of 396.42 g/mol. Its IUPAC name is 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid.

Molecular Properties

Compound Name3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid
PubChem CID54167353
Molecular FormulaC23H25O4P
Molecular Weight396.42 g/mol
Exact Mass396.15
IUPAC Name3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid
SMILESCCC(C(C(=O)O)c1ccccc1)P(=O)(O)CCc1cccc2ccccc12
InChIInChI=1S/C23H25O4P/c1-2-21(22(23(24)25)19-10-4-3-5-11-19)28(26,27)16-15-18-13-8-12-17-9-6-7-14-20(17)18/h3-14,21-22H,2,15-16H2,1H3,(H,24,25)(H,26,27)
InChIKeyOSOYMAWOBRLLLT-UHFFFAOYSA-N
XLogP5.30
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.42
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic 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

3-[hydroxy(methyl)phosphoryl]-2-phenylpentanoic acid
CID 19357757
3-[hydroxy(1H-indol-4-yl)phosphoryl]-2-phenylpentanoic acid
CID 19357743
1-(2-dichlorophosphorylethyl)naphthalene
CID 18630427
(2R)-3-ethyl-2-phenylpentanoic acid
CID 124511908
1-naphthalen-1-ylpentan-3-ol
CID 2793924
acetic acid;1-(2-bromoethyl)naphthalene
CID 174648093
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] (2S)-2-phenylbutanoate
CID 6600746
N-[(2S)-2-(dimethylamino)-2-phenylethyl]-2-naphthalen-1-ylacetamide
CID 41318235
1,1-diphenylbutan-2-ylphosphonic acid
CID 173118550
(2S)-3-naphthalen-1-yl-2-propoxypropanoic acid
CID 100531857
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
carbamic acid;naphthalen-1-ylmethanol
CID 71402043

Frequently Asked Questions

What is the IUPAC name of 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid?
The IUPAC name of 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid (CID 54167353) is 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid.
What is the SMILES notation for 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid?
The canonical SMILES for 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid is CCC(C(C(=O)O)c1ccccc1)P(=O)(O)CCc1cccc2ccccc12.
What is the InChIKey of 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid?
The InChIKey is OSOYMAWOBRLLLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25O4P/c1-2-21(22(23(24)25)19-10-4-3-5-11-19)28(26,27)16-15-18-13-8-12-17-9-6-7-14-20(17)18/h3-14,21-22H,2,15-16H2,1H3,(H,24,25)(H,26,27).
What are the key properties of 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid?
3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid has a molecular weight of 396.42 g/mol, XLogP of 5.30, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[hydroxy(2-naphthalen-1-ylethyl)phosphoryl]-2-phenylpentanoic acid is sourced from PubChem (CID 54167353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).