methyl 4-[methoxy(phenyl)phosphanyl]butanoate

C12H17O3P — CID 144620027

IUPACmethyl 4-[methoxy(phenyl)phosphanyl]butanoate
SMILESCOC(=O)CCCP(OC)c1ccccc1
InChIInChI=1S/C12H17O3P/c1-14-12(13)9-6-10-16(15-2)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyZTQUMWDXUVBIEK-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.31
Rot. Bonds6

About methyl 4-[methoxy(phenyl)phosphanyl]butanoate

methyl 4-[methoxy(phenyl)phosphanyl]butanoate (PubChem CID 144620027) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is methyl 4-[methoxy(phenyl)phosphanyl]butanoate.

Molecular Properties

Compound Namemethyl 4-[methoxy(phenyl)phosphanyl]butanoate
PubChem CID144620027
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Namemethyl 4-[methoxy(phenyl)phosphanyl]butanoate
SMILESCOC(=O)CCCP(OC)c1ccccc1
InChIInChI=1S/C12H17O3P/c1-14-12(13)9-6-10-16(15-2)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3
InChIKeyZTQUMWDXUVBIEK-UHFFFAOYSA-N
XLogP2.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.31
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

CID 11999490
CID 11999490
(4-methoxy-4-oxobutyl)-triphenylphosphanium
CID 11015715
(5-methoxy-5-oxopentyl)-triphenylphosphanium
CID 3630851
(15-methoxy-15-oxopentadecyl)-triphenylphosphanium
CID 10508386
methyl 5,5-diphenylpentanoate
CID 10923549
methyl 4-[bromo(triphenyl)-lambda5-phosphanyl]butanoate
CID 14603913
methyl (5S)-5-hydroxy-5-phenylpentanoate
CID 25209922
1,1'-biphenyl;methyl tetradecanoate
CID 175273282
(3-methoxy-3-oxopropyl)-triphenylphosphanium
CID 6332300
diphenyltin;bis(5-methoxy-5-oxopentanoic acid)
CID 11706767
methyl 4-benzamidobutanoate
CID 13197711
methyl 7-(benzenesulfonamido)heptanoate
CID 31847638

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methoxy(phenyl)phosphanyl]butanoate?
The IUPAC name of methyl 4-[methoxy(phenyl)phosphanyl]butanoate (CID 144620027) is methyl 4-[methoxy(phenyl)phosphanyl]butanoate.
What is the SMILES notation for methyl 4-[methoxy(phenyl)phosphanyl]butanoate?
The canonical SMILES for methyl 4-[methoxy(phenyl)phosphanyl]butanoate is COC(=O)CCCP(OC)c1ccccc1.
What is the InChIKey of methyl 4-[methoxy(phenyl)phosphanyl]butanoate?
The InChIKey is ZTQUMWDXUVBIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-14-12(13)9-6-10-16(15-2)11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3.
What are the key properties of methyl 4-[methoxy(phenyl)phosphanyl]butanoate?
methyl 4-[methoxy(phenyl)phosphanyl]butanoate has a molecular weight of 240.24 g/mol, XLogP of 2.31, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methoxy(phenyl)phosphanyl]butanoate is sourced from PubChem (CID 144620027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).