dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one

C19H22O5P+ — CID 174789890

IUPACdimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one
SMILESCC(=O)/C(=C/OCc1ccccc1)c1ccccc1.CO[P+](=O)OC
InChIInChI=1S/C17H16O2.C2H6O3P/c1-14(18)17(16-10-6-3-7-11-16)13-19-12-15-8-4-2-5-9-15;1-4-6(3)5-2/h2-11,13H,12H2,1H3;1-2H3/q;+1/b17-13-;
InChIKeyZCKBMJATDYGLRH-VSORCOHTSA-N
MW361.35 g/mol
LogP4.77
Rot. Bonds7

About dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one

dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one (PubChem CID 174789890) has the molecular formula C19H22O5P+ and a molecular weight of 361.35 g/mol. Its IUPAC name is dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one.

Molecular Properties

Compound Namedimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one
PubChem CID174789890
Molecular FormulaC19H22O5P+
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Namedimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one
SMILESCC(=O)/C(=C/OCc1ccccc1)c1ccccc1.CO[P+](=O)OC
InChIInChI=1S/C17H16O2.C2H6O3P/c1-14(18)17(16-10-6-3-7-11-16)13-19-12-15-8-4-2-5-9-15;1-4-6(3)5-2/h2-11,13H,12H2,1H3;1-2H3/q;+1/b17-13-;
InChIKeyZCKBMJATDYGLRH-VSORCOHTSA-N
XLogP4.77
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
(E)-4-(benzylamino)-3-phenylbut-3-en-2-one
CID 71608074
[(1Z)-3-methoxy-1-phenylmethoxybuta-1,3-dien-2-yl] acetate
CID 46944343
3-phenylhex-3-en-2-one
CID 130637770
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265
2,2-difluoroethenoxymethylbenzene
CID 53483110
3-ethoxy-2-phenylprop-2-enamide
CID 66596692
methyl (E)-2,5-diphenylpent-2-enoate
CID 24795397
acetic acid;phenylmethoxymethylbenzene
CID 175214238
methoxymethylbenzene;methyl acetate
CID 54330728
1-(4-hydroxyphenyl)-3-methoxy-2-phenylprop-2-en-1-one
CID 168881643
ethenoxymethylbenzene;ethenyl acetate
CID 70503458

Frequently Asked Questions

What is the IUPAC name of dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one?
The IUPAC name of dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one (CID 174789890) is dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one.
What is the SMILES notation for dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one?
The canonical SMILES for dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one is CC(=O)/C(=C/OCc1ccccc1)c1ccccc1.CO[P+](=O)OC.
What is the InChIKey of dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one?
The InChIKey is ZCKBMJATDYGLRH-VSORCOHTSA-N. The full InChI is InChI=1S/C17H16O2.C2H6O3P/c1-14(18)17(16-10-6-3-7-11-16)13-19-12-15-8-4-2-5-9-15;1-4-6(3)5-2/h2-11,13H,12H2,1H3;1-2H3/q;+1/b17-13-;.
What are the key properties of dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one?
dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one has a molecular weight of 361.35 g/mol, XLogP of 4.77, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one is sourced from PubChem (CID 174789890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).