[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid

C15H17O6P — CID 10031094

IUPAC[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)OCP(=O)(O)O)ccc2c1
InChIInChI=1S/C15H17O6P/c1-10(15(16)21-9-22(17,18)19)11-3-4-13-8-14(20-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyDVDGZNFHXLQIMD-JTQLQIEISA-N
MW324.27 g/mol
LogP2.63
Rot. Bonds5

About [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid

[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid (PubChem CID 10031094) has the molecular formula C15H17O6P and a molecular weight of 324.27 g/mol. Its IUPAC name is [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid.

Molecular Properties

Compound Name[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
PubChem CID10031094
Molecular FormulaC15H17O6P
Molecular Weight324.27 g/mol
Exact Mass324.08
IUPAC Name[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
SMILESCOc1ccc2cc([C@H](C)C(=O)OCP(=O)(O)O)ccc2c1
InChIInChI=1S/C15H17O6P/c1-10(15(16)21-9-22(17,18)19)11-3-4-13-8-14(20-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H2,17,18,19)/t10-/m0/s1
InChIKeyDVDGZNFHXLQIMD-JTQLQIEISA-N
XLogP2.63
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.27
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
chloro (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 90693422
prop-2-ynyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 500306
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
[4-[[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethyl]cyclohexyl]methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 164936733
ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
CID 88696852
heptyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261824
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-chlorosulfonylethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 51351147
(4-cyanophenyl)methyl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 84881337

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid?
The IUPAC name of [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid (CID 10031094) is [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid.
What is the SMILES notation for [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid?
The canonical SMILES for [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid is COc1ccc2cc([C@H](C)C(=O)OCP(=O)(O)O)ccc2c1.
What is the InChIKey of [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid?
The InChIKey is DVDGZNFHXLQIMD-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17O6P/c1-10(15(16)21-9-22(17,18)19)11-3-4-13-8-14(20-2)6-5-12(13)7-11/h3-8,10H,9H2,1-2H3,(H2,17,18,19)/t10-/m0/s1.
What are the key properties of [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid?
[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid has a molecular weight of 324.27 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid is sourced from PubChem (CID 10031094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).