phosphoroso 2-(naphthalen-2-ylmethyl)butanoate

C15H15O3P — CID 175293767

IUPACphosphoroso 2-(naphthalen-2-ylmethyl)butanoate
SMILESCCC(Cc1ccc2ccccc2c1)C(=O)OP=O
InChIInChI=1S/C15H15O3P/c1-2-12(15(16)18-19-17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3
InChIKeyRAADIVAFTMBFJU-UHFFFAOYSA-N
MW274.26 g/mol
LogP4.16
Rot. Bonds5

About phosphoroso 2-(naphthalen-2-ylmethyl)butanoate

phosphoroso 2-(naphthalen-2-ylmethyl)butanoate (PubChem CID 175293767) has the molecular formula C15H15O3P and a molecular weight of 274.26 g/mol. Its IUPAC name is phosphoroso 2-(naphthalen-2-ylmethyl)butanoate.

Molecular Properties

Compound Namephosphoroso 2-(naphthalen-2-ylmethyl)butanoate
PubChem CID175293767
Molecular FormulaC15H15O3P
Molecular Weight274.26 g/mol
Exact Mass274.08
IUPAC Namephosphoroso 2-(naphthalen-2-ylmethyl)butanoate
SMILESCCC(Cc1ccc2ccccc2c1)C(=O)OP=O
InChIInChI=1S/C15H15O3P/c1-2-12(15(16)18-19-17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3
InChIKeyRAADIVAFTMBFJU-UHFFFAOYSA-N
XLogP4.16
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.26
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(naphthalen-2-ylmethyl)butanoic acid
CID 77427365
ethyl 2-(1,3-dioxoisoindol-2-yl)-3-naphthalen-2-ylpropanoate
CID 101149454
ethyl (2S)-2-formyl-3-naphthalen-2-ylpropanoate
CID 125487016
butyl 2-methyl-3-naphthalen-2-ylpropanoate
CID 102047735
methyl 2-[[[(2S)-2-aminopropanoyl]amino]methyl]-3-naphthalen-2-ylpropanoate
CID 119325146
methyl 3-amino-2-hydroxy-4-naphthalen-2-ylbutanoate
CID 154647583
3-naphthalen-2-yl-2-(naphthalen-1-ylmethyl)propanoic acid
CID 169444867
1-O-ethyl 3-O-(naphthalen-2-ylmethyl) 2-ethylpropanedioate
CID 174363846
ethyl 2-diethoxyphosphoryl-3-naphthalen-2-ylpropanoate
CID 90197847
2-(2-chlorobutyl)naphthalene
CID 21490588
2-amino-4,4-dimethyl-1-naphthalen-2-ylpentan-3-one
CID 118082102
octyl 2-amino-3-naphthalen-2-ylpropanoate
CID 166069428

Frequently Asked Questions

What is the IUPAC name of phosphoroso 2-(naphthalen-2-ylmethyl)butanoate?
The IUPAC name of phosphoroso 2-(naphthalen-2-ylmethyl)butanoate (CID 175293767) is phosphoroso 2-(naphthalen-2-ylmethyl)butanoate.
What is the SMILES notation for phosphoroso 2-(naphthalen-2-ylmethyl)butanoate?
The canonical SMILES for phosphoroso 2-(naphthalen-2-ylmethyl)butanoate is CCC(Cc1ccc2ccccc2c1)C(=O)OP=O.
What is the InChIKey of phosphoroso 2-(naphthalen-2-ylmethyl)butanoate?
The InChIKey is RAADIVAFTMBFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15O3P/c1-2-12(15(16)18-19-17)9-11-7-8-13-5-3-4-6-14(13)10-11/h3-8,10,12H,2,9H2,1H3.
What are the key properties of phosphoroso 2-(naphthalen-2-ylmethyl)butanoate?
phosphoroso 2-(naphthalen-2-ylmethyl)butanoate has a molecular weight of 274.26 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoroso 2-(naphthalen-2-ylmethyl)butanoate is sourced from PubChem (CID 175293767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).