1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone

C24H23O2P — CID 135001342

IUPAC1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone
SMILESC=C(OCCP(c1ccccc1)c1ccccc1)c1ccccc1C(C)=O
InChIInChI=1S/C24H23O2P/c1-19(25)23-15-9-10-16-24(23)20(2)26-17-18-27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-18H2,1H3
InChIKeyVNMBXRVLODLJSL-UHFFFAOYSA-N
MW374.42 g/mol
LogP5.01
Rot. Bonds8

About 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone

1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone (PubChem CID 135001342) has the molecular formula C24H23O2P and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone
PubChem CID135001342
Molecular FormulaC24H23O2P
Molecular Weight374.42 g/mol
Exact Mass374.14
IUPAC Name1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone
SMILESC=C(OCCP(c1ccccc1)c1ccccc1)c1ccccc1C(C)=O
InChIInChI=1S/C24H23O2P/c1-19(25)23-15-9-10-16-24(23)20(2)26-17-18-27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-18H2,1H3
InChIKeyVNMBXRVLODLJSL-UHFFFAOYSA-N
XLogP5.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.42
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

3-diphenylphosphanylpropyl acetate
CID 57133096
1-[2-(1-methoxyethenyl)phenyl]ethanone
CID 121440840
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CID 102282785
CID 25267924
CID 25267924
1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-O-(5-diphenylphosphanylpentyl) 1-O-ethyl propanedioate
CID 101262624
1-[2-(3-bromoprop-1-en-2-yl)phenyl]ethanone
CID 155419737
CID 11999490
CID 11999490
butyl 2-diphenylphosphanylbenzoate
CID 87329990
copper;2-diphenylphosphanylethyl(diphenyl)phosphane
CID 172691884
2-diphenylphosphanylethanamine;2-diphenylphosphanylethyl(diphenyl)phosphane;ruthenium
CID 90421643
2-acetylbenzohydrazide;hydrochloride
CID 175815383

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone?
The IUPAC name of 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone (CID 135001342) is 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone.
What is the SMILES notation for 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone?
The canonical SMILES for 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone is C=C(OCCP(c1ccccc1)c1ccccc1)c1ccccc1C(C)=O.
What is the InChIKey of 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone?
The InChIKey is VNMBXRVLODLJSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23O2P/c1-19(25)23-15-9-10-16-24(23)20(2)26-17-18-27(21-11-5-3-6-12-21)22-13-7-4-8-14-22/h3-16H,2,17-18H2,1H3.
What are the key properties of 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone?
1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone has a molecular weight of 374.42 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2-diphenylphosphanylethoxy)ethenyl]phenyl]ethanone is sourced from PubChem (CID 135001342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).