3-diphenylphosphanylpropyl acetate

C17H19O2P — CID 57133096

IUPAC3-diphenylphosphanylpropyl acetate
SMILESCC(=O)OCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-15(18)19-13-8-14-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3
InChIKeyUCKDLPNTSZJFRJ-UHFFFAOYSA-N
MW286.31 g/mol
LogP3.07
Rot. Bonds6

About 3-diphenylphosphanylpropyl acetate

3-diphenylphosphanylpropyl acetate (PubChem CID 57133096) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is 3-diphenylphosphanylpropyl acetate.

Molecular Properties

Compound Name3-diphenylphosphanylpropyl acetate
PubChem CID57133096
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name3-diphenylphosphanylpropyl acetate
SMILESCC(=O)OCCCP(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-15(18)19-13-8-14-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3
InChIKeyUCKDLPNTSZJFRJ-UHFFFAOYSA-N
XLogP3.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 53.07
H-Bond Donors ≤ 50
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

CID 25267924
CID 25267924
3-O-(5-diphenylphosphanylpentyl) 1-O-ethyl propanedioate
CID 101262624
benzoic acid;butyl acetate
CID 67420594
1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone
CID 135001342
9-acetyloxynonyl(triphenyl)phosphanium bromide
CID 11092632
3-[difluoro(phenyl)silyl]propyl acetate
CID 174136211
8-diphenylphosphanyloctanoic acid
CID 20679688
2-phenylethyl acetate
CID 7654
bis(6-diphenylphosphanylhexyl(diphenyl)phosphane);palladium
CID 87455708
benzyl acetate;butyl acetate
CID 158391193
4-(N-phenylanilino)butyl acetate
CID 2782353
4-dimethylphosphanylbutyl(diphenyl)phosphane
CID 13159123

Frequently Asked Questions

What is the IUPAC name of 3-diphenylphosphanylpropyl acetate?
The IUPAC name of 3-diphenylphosphanylpropyl acetate (CID 57133096) is 3-diphenylphosphanylpropyl acetate.
What is the SMILES notation for 3-diphenylphosphanylpropyl acetate?
The canonical SMILES for 3-diphenylphosphanylpropyl acetate is CC(=O)OCCCP(c1ccccc1)c1ccccc1.
What is the InChIKey of 3-diphenylphosphanylpropyl acetate?
The InChIKey is UCKDLPNTSZJFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19O2P/c1-15(18)19-13-8-14-20(16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-7,9-12H,8,13-14H2,1H3.
What are the key properties of 3-diphenylphosphanylpropyl acetate?
3-diphenylphosphanylpropyl acetate has a molecular weight of 286.31 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diphenylphosphanylpropyl acetate is sourced from PubChem (CID 57133096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).