butoxy(2-phenylethyl)phosphinic acid

C12H19O3P — CID 150976148

IUPACbutoxy(2-phenylethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-2-3-10-15-16(13,14)11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,13,14)
InChIKeyLPDFPJPWDUVGFU-UHFFFAOYSA-N
MW242.25 g/mol
LogP3.23
Rot. Bonds7

About butoxy(2-phenylethyl)phosphinic acid

butoxy(2-phenylethyl)phosphinic acid (PubChem CID 150976148) has the molecular formula C12H19O3P and a molecular weight of 242.25 g/mol. Its IUPAC name is butoxy(2-phenylethyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy(2-phenylethyl)phosphinic acid
PubChem CID150976148
Molecular FormulaC12H19O3P
Molecular Weight242.25 g/mol
Exact Mass242.11
IUPAC Namebutoxy(2-phenylethyl)phosphinic acid
SMILESCCCCOP(=O)(O)CCc1ccccc1
InChIInChI=1S/C12H19O3P/c1-2-3-10-15-16(13,14)11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,13,14)
InChIKeyLPDFPJPWDUVGFU-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 53.23
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

2-phenylethyl(phenylmethoxy)phosphinic acid
CID 54325821
2-bromoethoxy(2-phenylethyl)phosphinic acid
CID 174777902
benzyl(octoxy)phosphinic acid
CID 57273466
butyl(2-phenylethyl)phosphinic acid;iron
CID 159791741
N-benzylhydroxylamine;dibutyl hydrogen phosphate
CID 158905172
3-[butyl(octoxy)phosphoryl]oxypropylbenzene
CID 91710244
biphenylene;bis(dibutyl hydrogen phosphate)
CID 87094154
12-phenyldodecyl dihydrogen phosphate
CID 70388670
[(Z)-octadec-9-enyl]-phenylmethoxyphosphinic acid
CID 139947168
benzyl butyl hydrogen phosphate;phthalic acid
CID 174844496
azane;benzyl hexadecyl hydrogen phosphate
CID 174524131
butoxy(ethyl)phosphinic acid
CID 71353007

Frequently Asked Questions

What is the IUPAC name of butoxy(2-phenylethyl)phosphinic acid?
The IUPAC name of butoxy(2-phenylethyl)phosphinic acid (CID 150976148) is butoxy(2-phenylethyl)phosphinic acid.
What is the SMILES notation for butoxy(2-phenylethyl)phosphinic acid?
The canonical SMILES for butoxy(2-phenylethyl)phosphinic acid is CCCCOP(=O)(O)CCc1ccccc1.
What is the InChIKey of butoxy(2-phenylethyl)phosphinic acid?
The InChIKey is LPDFPJPWDUVGFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19O3P/c1-2-3-10-15-16(13,14)11-9-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,13,14).
What are the key properties of butoxy(2-phenylethyl)phosphinic acid?
butoxy(2-phenylethyl)phosphinic acid has a molecular weight of 242.25 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy(2-phenylethyl)phosphinic acid is sourced from PubChem (CID 150976148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).