3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid

C12H17O3P — CID 143338462

IUPAC3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
SMILESCCPCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C12H17O3P/c1-2-16-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,16H,2,5,8-9H2,1H3,(H,13,14)
InChIKeyIMFUONJLGZRCOK-UHFFFAOYSA-N
MW240.24 g/mol
LogP2.74
Rot. Bonds7

About 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid

3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid (PubChem CID 143338462) has the molecular formula C12H17O3P and a molecular weight of 240.24 g/mol. Its IUPAC name is 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
PubChem CID143338462
Molecular FormulaC12H17O3P
Molecular Weight240.24 g/mol
Exact Mass240.09
IUPAC Name3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid
SMILESCCPCOc1ccc(CCC(=O)O)cc1
InChIInChI=1S/C12H17O3P/c1-2-16-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,16H,2,5,8-9H2,1H3,(H,13,14)
InChIKeyIMFUONJLGZRCOK-UHFFFAOYSA-N
XLogP2.74
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.24
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[2-(methylamino)ethoxy]phenyl]propanoic acid
CID 117095187
3-[4-(2,3-dimethylbut-2-enoxy)phenyl]propanoic acid
CID 166628127
3-(4-hydroperoxyphenyl)propanoic acid
CID 87907656
3-[4-(3-methylbutoxy)phenyl]propanoic acid
CID 167220539
3-[4-[3-(dimethylamino)propoxy]phenyl]propanoic acid
CID 20986252
3-[4-(cyclopropylmethoxy)phenyl]propanoic acid
CID 25019180
4-(4-ethoxyphenyl)-2-oxobutanoic acid
CID 82185773
3-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]propanoic acid
CID 59767606
3-[4-[3-(4-propoxyphenyl)propanoylamino]phenyl]propanoic acid
CID 119252286
3-[4-[(4-phenylphenyl)methoxy]phenyl]propanoic acid
CID 51349860
actinium;3-[4-[2-(2-hydroxyethylsulfanyl)ethoxy]phenyl]propanoic acid
CID 22949876
methyl 3-(4-phenylmethoxyphenyl)propanoate;3-(4-phenylmethoxyphenyl)propanoic acid
CID 161360857

Frequently Asked Questions

What is the IUPAC name of 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid?
The IUPAC name of 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid (CID 143338462) is 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid is CCPCOc1ccc(CCC(=O)O)cc1.
What is the InChIKey of 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid?
The InChIKey is IMFUONJLGZRCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O3P/c1-2-16-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h3-4,6-7,16H,2,5,8-9H2,1H3,(H,13,14).
What are the key properties of 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid?
3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid has a molecular weight of 240.24 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(ethylphosphanylmethoxy)phenyl]propanoic acid is sourced from PubChem (CID 143338462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).