[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene

C19H19OP — CID 153280955

IUPAC[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
SMILESO=P(Cc1ccccc1)(Cc1ccccc1)C1C=CC=C1
InChIInChI=1S/C19H19OP/c20-21(19-13-7-8-14-19,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,19H,15-16H2
InChIKeyDEZGDHKNAYUODV-UHFFFAOYSA-N
MW294.33 g/mol
LogP5.24
Rot. Bonds5

About [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene

[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene (PubChem CID 153280955) has the molecular formula C19H19OP and a molecular weight of 294.33 g/mol. Its IUPAC name is [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene.

Molecular Properties

Compound Name[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
PubChem CID153280955
Molecular FormulaC19H19OP
Molecular Weight294.33 g/mol
Exact Mass294.12
IUPAC Name[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
SMILESO=P(Cc1ccccc1)(Cc1ccccc1)C1C=CC=C1
InChIInChI=1S/C19H19OP/c20-21(19-13-7-8-14-19,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,19H,15-16H2
InChIKeyDEZGDHKNAYUODV-UHFFFAOYSA-N
XLogP5.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.33
LogP ≤ 55.24
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

CID 23340127
CID 23340127
2-[benzyl(oxiran-2-yl)phosphoryl]oxirane
CID 88594706
6-benzylcyclohexa-2,4-dien-1-one
CID 14833665
[benzyl(phenoxy)phosphoryl]methylbenzene
CID 23079553
2-[benzyl(carboxymethyl)phosphoryl]acetic acid
CID 67745759
di(cyclopenta-2,4-dien-1-yl)-phenyl-sulfanylidene-λ5-phosphane
CID 102245857
(6-dimethoxyphosphorylcyclohexa-2,4-dien-1-yl)methylbenzene
CID 100962417
benzylbenzene;phosphoric acid
CID 161249494
2-dibenzylphosphorylacetate
CID 6989384
[tert-butyl(phenyl)phosphoryl]methylbenzene
CID 10612241
benzyl(phenoxy)phosphinic acid
CID 54071062
2-benzyl-1,3-dithiepine
CID 87420954

Frequently Asked Questions

What is the IUPAC name of [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene?
The IUPAC name of [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene (CID 153280955) is [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene.
What is the SMILES notation for [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene?
The canonical SMILES for [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene is O=P(Cc1ccccc1)(Cc1ccccc1)C1C=CC=C1.
What is the InChIKey of [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene?
The InChIKey is DEZGDHKNAYUODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19OP/c20-21(19-13-7-8-14-19,15-17-9-3-1-4-10-17)16-18-11-5-2-6-12-18/h1-14,19H,15-16H2.
What are the key properties of [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene?
[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene has a molecular weight of 294.33 g/mol, XLogP of 5.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene is sourced from PubChem (CID 153280955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).