carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium

C22H20O2P+ — CID 67815660

IUPACcarboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
SMILESO=C(O)C[P+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19O2P/c23-22(24)18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17H,18H2/p+1
InChIKeyPBIGFFIWPYIWRM-UHFFFAOYSA-O
MW347.37 g/mol
LogP4.41
Rot. Bonds6

About carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium

carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium (PubChem CID 67815660) has the molecular formula C22H20O2P+ and a molecular weight of 347.37 g/mol. Its IUPAC name is carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium.

Molecular Properties

Compound Namecarboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
PubChem CID67815660
Molecular FormulaC22H20O2P+
Molecular Weight347.37 g/mol
Exact Mass347.12
IUPAC Namecarboxymethyl-diphenyl-(2-phenylethenyl)phosphanium
SMILESO=C(O)C[P+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C22H19O2P/c23-22(24)18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17H,18H2/p+1
InChIKeyPBIGFFIWPYIWRM-UHFFFAOYSA-O
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
diphenylphosphanylmethyl-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 100937997
triphenyl-[(E)-2-phenylethenyl]phosphanium
CID 6332815
iodo-diphenyl-[(E)-2-phenylethenyl]phosphanium
CID 18626597
acetic acid;stilbene
CID 172803728
(4E,6E)-3-hydroxy-7-phenylhepta-4,6-dienoic acid
CID 23428026
tris(carboxymethyl(triphenyl)phosphanium);ruthenium
CID 154640778
3-phenylprop-2-ene-1,1-diol
CID 54432533
(1E,3R,5S,6E)-1,7-diphenylhepta-1,6-diene-3,5-diol
CID 122402908
propanedioate;(E)-stilbene
CID 19773481
2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
CID 69226744
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496

Frequently Asked Questions

What is the IUPAC name of carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium?
The IUPAC name of carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium (CID 67815660) is carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium.
What is the SMILES notation for carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium?
The canonical SMILES for carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium is O=C(O)C[P+](C=Cc1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium?
The InChIKey is PBIGFFIWPYIWRM-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H19O2P/c23-22(24)18-25(20-12-6-2-7-13-20,21-14-8-3-9-15-21)17-16-19-10-4-1-5-11-19/h1-17H,18H2/p+1.
What are the key properties of carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium?
carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium has a molecular weight of 347.37 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethyl-diphenyl-(2-phenylethenyl)phosphanium is sourced from PubChem (CID 67815660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).