lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate

C10H12LiO5P — CID 140684014

IUPAClithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate
SMILESCOc1cccc(COP(=O)([O-])C(C)=O)c1.[Li+]
InChIInChI=1S/C10H13O5P.Li/c1-8(11)16(12,13)15-7-9-4-3-5-10(6-9)14-2;/h3-6H,7H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyMLLRTJFWRODWCC-UHFFFAOYSA-M
MW250.12 g/mol
LogP-1.68
Rot. Bonds5

About lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate

lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate (PubChem CID 140684014) has the molecular formula C10H12LiO5P and a molecular weight of 250.12 g/mol. Its IUPAC name is lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate.

Molecular Properties

Compound Namelithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate
PubChem CID140684014
Molecular FormulaC10H12LiO5P
Molecular Weight250.12 g/mol
Exact Mass250.06
IUPAC Namelithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate
SMILESCOc1cccc(COP(=O)([O-])C(C)=O)c1.[Li+]
InChIInChI=1S/C10H13O5P.Li/c1-8(11)16(12,13)15-7-9-4-3-5-10(6-9)14-2;/h3-6H,7H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyMLLRTJFWRODWCC-UHFFFAOYSA-M
XLogP-1.68
TPSA75.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.12
LogP ≤ 5-1.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3-methoxyphenyl)methyl phosphono hydrogen phosphate
CID 151235649
lithium acetyl-[2-(4-methoxyphenyl)ethoxy]phosphinate
CID 140684013
(3-methoxyphenyl)methyl (Z)-2-methylbut-2-enoate
CID 91698333
(3-methoxyphenyl)methyl 2-amino-3-phenylpropanoate
CID 61280030
(3-methoxyphenyl)methyl (2S)-2-amino-3-methylbutanoate
CID 61277798
4-[(3-methoxyphenyl)methoxymethyl]benzoic acid
CID 24689583
(3-methoxyphenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 42404752
2-[(3-methoxyphenyl)methoxy]prop-1-en-1-one
CID 134874113
(3-methoxyphenyl)methyl 2-sulfanylacetate
CID 107018257
(3-methoxyphenyl)methyl 2-amino-3-methoxypropanoate
CID 81084881
(3-methoxyphenyl)methyl 2-hydroxyprop-2-enoate
CID 174537082
6-[(3-methoxyphenyl)methoxy]hexan-3-one
CID 106801987

Frequently Asked Questions

What is the IUPAC name of lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate?
The IUPAC name of lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate (CID 140684014) is lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate.
What is the SMILES notation for lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate?
The canonical SMILES for lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate is COc1cccc(COP(=O)([O-])C(C)=O)c1.[Li+].
What is the InChIKey of lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate?
The InChIKey is MLLRTJFWRODWCC-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H13O5P.Li/c1-8(11)16(12,13)15-7-9-4-3-5-10(6-9)14-2;/h3-6H,7H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate?
lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate has a molecular weight of 250.12 g/mol, XLogP of -1.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium acetyl-[(3-methoxyphenyl)methoxy]phosphinate is sourced from PubChem (CID 140684014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).