ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid

C16H19O5P — CID 88696852

IUPACethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
SMILESCCOP(=O)(O)C(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19O5P/c1-4-21-22(18,19)16(17)11(2)12-5-6-14-10-15(20-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyRNWBXNTXJZFBGP-UHFFFAOYSA-N
MW322.30 g/mol
LogP3.70
Rot. Bonds6

About ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid

ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid (PubChem CID 88696852) has the molecular formula C16H19O5P and a molecular weight of 322.30 g/mol. Its IUPAC name is ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid.

Molecular Properties

Compound Nameethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
PubChem CID88696852
Molecular FormulaC16H19O5P
Molecular Weight322.30 g/mol
Exact Mass322.10
IUPAC Nameethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid
SMILESCCOP(=O)(O)C(=O)C(C)c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C16H19O5P/c1-4-21-22(18,19)16(17)11(2)12-5-6-14-10-15(20-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3,(H,18,19)
InChIKeyRNWBXNTXJZFBGP-UHFFFAOYSA-N
XLogP3.70
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-2-(6-methoxynaphthalen-2-yl)propanoyl]oxymethylphosphonic acid
CID 10031094
disodium;(2S)-N-ethyl-2-(6-methoxynaphthalen-2-yl)propanamide;hydrogen phosphate
CID 70291925
3-(6-methoxynaphthalen-2-yl)butan-2-one
CID 13292512
2-methoxyethyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 101261822
2-(2-diethoxyphosphoryloxyethyldisulfanyl)ethyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 77050639
butan-2-yl 2-(6-methoxynaphthalen-2-yl)propanoate
CID 10016853
propyl (2R)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 102378352
butyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate
CID 54393649
potassium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174215246
(2R)-2-(7-methoxynaphthalen-2-yl)propanoic acid
CID 93477602
sodium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 173070735
magnesium;hydride;2-(6-methoxynaphthalen-2-yl)propanoic acid
CID 174047871

Frequently Asked Questions

What is the IUPAC name of ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid?
The IUPAC name of ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid (CID 88696852) is ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid.
What is the SMILES notation for ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid?
The canonical SMILES for ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid is CCOP(=O)(O)C(=O)C(C)c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid?
The InChIKey is RNWBXNTXJZFBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19O5P/c1-4-21-22(18,19)16(17)11(2)12-5-6-14-10-15(20-3)8-7-13(14)9-12/h5-11H,4H2,1-3H3,(H,18,19).
What are the key properties of ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid?
ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid has a molecular weight of 322.30 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-[2-(6-methoxynaphthalen-2-yl)propanoyl]phosphinic acid is sourced from PubChem (CID 88696852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).