butoxy-(2,3-dipropylphenyl)phosphinic acid

C16H27O3P — CID 87674111

IUPACbutoxy-(2,3-dipropylphenyl)phosphinic acid
SMILESCCCCOP(=O)(O)c1cccc(CCC)c1CCC
InChIInChI=1S/C16H27O3P/c1-4-7-13-19-20(17,18)16-12-8-11-14(9-5-2)15(16)10-6-3/h8,11-12H,4-7,9-10,13H2,1-3H3,(H,17,18)
InChIKeyHVCOVQSNDYPSKC-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.22
Rot. Bonds9

About butoxy-(2,3-dipropylphenyl)phosphinic acid

butoxy-(2,3-dipropylphenyl)phosphinic acid (PubChem CID 87674111) has the molecular formula C16H27O3P and a molecular weight of 298.36 g/mol. Its IUPAC name is butoxy-(2,3-dipropylphenyl)phosphinic acid.

Molecular Properties

Compound Namebutoxy-(2,3-dipropylphenyl)phosphinic acid
PubChem CID87674111
Molecular FormulaC16H27O3P
Molecular Weight298.36 g/mol
Exact Mass298.17
IUPAC Namebutoxy-(2,3-dipropylphenyl)phosphinic acid
SMILESCCCCOP(=O)(O)c1cccc(CCC)c1CCC
InChIInChI=1S/C16H27O3P/c1-4-7-13-19-20(17,18)16-12-8-11-14(9-5-2)15(16)10-6-3/h8,11-12H,4-7,9-10,13H2,1-3H3,(H,17,18)
InChIKeyHVCOVQSNDYPSKC-UHFFFAOYSA-N
XLogP4.22
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.22
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

(2,3-dipropylphenyl)-methoxyphosphinic acid
CID 87674891
1,2-dibutyl-3-dipropoxyphosphorylbenzene
CID 87672568
(2,3-dipropylphenoxy)-(2-propylphenyl)phosphinic acid
CID 87674082
1-bis(2-propylphenoxy)phosphoryl-2,3-dibutylbenzene
CID 87672742
3-[2-[butoxy(hydroxy)phosphoryl]phenoxy]propane-1-sulfonic acid
CID 118860040
butyl dihydrogen phosphate;methanamine;naphthalene
CID 159050884
[5-[4-(4-amino-3-propylanilino)butoxy-hydroxyphosphoryl]naphthalen-1-yl]phosphonic acid
CID 57285241
biphenylene;bis(dibutyl hydrogen phosphate)
CID 87094154
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
2-propyl-1,3-di(tricosyl)benzene
CID 90723374
1,3-dioctyl-2-propylbenzene
CID 90707443
(2,3-dipropylphenoxy)-(4-oxobutyl)phosphinic acid
CID 87673293

Frequently Asked Questions

What is the IUPAC name of butoxy-(2,3-dipropylphenyl)phosphinic acid?
The IUPAC name of butoxy-(2,3-dipropylphenyl)phosphinic acid (CID 87674111) is butoxy-(2,3-dipropylphenyl)phosphinic acid.
What is the SMILES notation for butoxy-(2,3-dipropylphenyl)phosphinic acid?
The canonical SMILES for butoxy-(2,3-dipropylphenyl)phosphinic acid is CCCCOP(=O)(O)c1cccc(CCC)c1CCC.
What is the InChIKey of butoxy-(2,3-dipropylphenyl)phosphinic acid?
The InChIKey is HVCOVQSNDYPSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27O3P/c1-4-7-13-19-20(17,18)16-12-8-11-14(9-5-2)15(16)10-6-3/h8,11-12H,4-7,9-10,13H2,1-3H3,(H,17,18).
What are the key properties of butoxy-(2,3-dipropylphenyl)phosphinic acid?
butoxy-(2,3-dipropylphenyl)phosphinic acid has a molecular weight of 298.36 g/mol, XLogP of 4.22, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butoxy-(2,3-dipropylphenyl)phosphinic acid is sourced from PubChem (CID 87674111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).