[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene

C22H21OP — CID 134934290

IUPAC[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
SMILESC/C(=C\P(=O)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c1-19(21-13-7-3-8-14-21)17-24(23,22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3/b19-17+
InChIKeyHSHPRMBNOKWWJW-HTXNQAPBSA-N
MW332.38 g/mol
LogP5.94
Rot. Bonds5

About [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene

[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene (PubChem CID 134934290) has the molecular formula C22H21OP and a molecular weight of 332.38 g/mol. Its IUPAC name is [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene.

Molecular Properties

Compound Name[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
PubChem CID134934290
Molecular FormulaC22H21OP
Molecular Weight332.38 g/mol
Exact Mass332.13
IUPAC Name[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene
SMILESC/C(=C\P(=O)(Cc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H21OP/c1-19(21-13-7-3-8-14-21)17-24(23,22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3/b19-17+
InChIKeyHSHPRMBNOKWWJW-HTXNQAPBSA-N
XLogP5.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.38
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(E)-2-phenylprop-1-enyl]phosphonic acid
CID 10954513
1-[methoxy(methyl)phosphoryl]prop-1-en-2-ylbenzene
CID 165353405
[phenyl(2-phenylprop-1-enyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 91322259
[3-[[hydroxy(phenyl)phosphoryl]methyl]phenyl]methyl-phenylphosphinic acid
CID 11773578
[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
[benzyl(methoxy)phosphoryl]methanol
CID 54224349
4-phenylpent-3-en-2-one
CID 594380
[(E)-but-2-en-2-yl]benzene;ethane;propane
CID 144534728
[(E)-5-phenylhex-4-enyl]benzene
CID 14767514
2,8-diphenylnona-2,7-dien-5-one
CID 139864359
1-bromoprop-1-en-2-ylbenzene
CID 5152757
1-iodoprop-1-en-2-ylbenzene
CID 54065087

Frequently Asked Questions

What is the IUPAC name of [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene?
The IUPAC name of [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene (CID 134934290) is [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene.
What is the SMILES notation for [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene?
The canonical SMILES for [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene is C/C(=C\P(=O)(Cc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene?
The InChIKey is HSHPRMBNOKWWJW-HTXNQAPBSA-N. The full InChI is InChI=1S/C22H21OP/c1-19(21-13-7-3-8-14-21)17-24(23,22-15-9-4-10-16-22)18-20-11-5-2-6-12-20/h2-17H,18H2,1H3/b19-17+.
What are the key properties of [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene?
[phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene has a molecular weight of 332.38 g/mol, XLogP of 5.94, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-[(E)-2-phenylprop-1-enyl]phosphoryl]methylbenzene is sourced from PubChem (CID 134934290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).