methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium

C13H18O4P+ — CID 88811968

IUPACmethoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium
SMILESCO[P+](=O)CCCC(C=O)(OC)c1ccccc1
InChIInChI=1S/C13H18O4P/c1-16-13(11-14,9-6-10-18(15)17-2)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1
InChIKeyWVJKTTRRXJRDPV-UHFFFAOYSA-N
MW269.26 g/mol
LogP2.90
Rot. Bonds8

About methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium

methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium (PubChem CID 88811968) has the molecular formula C13H18O4P+ and a molecular weight of 269.26 g/mol. Its IUPAC name is methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium.

Molecular Properties

Compound Namemethoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium
PubChem CID88811968
Molecular FormulaC13H18O4P+
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Namemethoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium
SMILESCO[P+](=O)CCCC(C=O)(OC)c1ccccc1
InChIInChI=1S/C13H18O4P/c1-16-13(11-14,9-6-10-18(15)17-2)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1
InChIKeyWVJKTTRRXJRDPV-UHFFFAOYSA-N
XLogP2.90
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,3-diphenyl-2-triethylsilyloxypropanal
CID 102088595
(2R)-2-phenyl-2-prop-2-enoxypent-4-enal
CID 101079976
5-(dimethylamino)-2,2-diphenylpentanal
CID 88611833
ethane;methoxymethoxy-oxo-(2,2,2-triphenylethyl)phosphanium
CID 90802212
tert-butylbenzene;methyl formate
CID 174802474
2-chloro-2-diethoxyphosphoryl-2-phenylacetaldehyde
CID 11162104
2-methoxy-2-methyl-4-phenylbutanal
CID 105446188
2,2-dimethoxy-3-phenylpropanal
CID 12836204
methyl-oxo-(4,4,4-triphenylbutoxy)phosphanium
CID 162300033
2-formamido-2-methoxy-2-phenylacetic acid
CID 57133630
2-methyl-2-phenylicosanal
CID 174730762
2,2-diphenylpropanedial
CID 15324204

Frequently Asked Questions

What is the IUPAC name of methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium?
The IUPAC name of methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium (CID 88811968) is methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium.
What is the SMILES notation for methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium?
The canonical SMILES for methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium is CO[P+](=O)CCCC(C=O)(OC)c1ccccc1.
What is the InChIKey of methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium?
The InChIKey is WVJKTTRRXJRDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O4P/c1-16-13(11-14,9-6-10-18(15)17-2)12-7-4-3-5-8-12/h3-5,7-8,11H,6,9-10H2,1-2H3/q+1.
What are the key properties of methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium?
methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium has a molecular weight of 269.26 g/mol, XLogP of 2.90, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-(4-methoxy-5-oxo-4-phenylpentyl)-oxophosphanium is sourced from PubChem (CID 88811968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).