[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene

C23H25OP — CID 57085324

IUPAC[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene
SMILESCP(=O)(C1=CCC1Cc1ccccc1)C1=CCC1Cc1ccccc1
InChIInChI=1S/C23H25OP/c1-25(24,22-14-12-20(22)16-18-8-4-2-5-9-18)23-15-13-21(23)17-19-10-6-3-7-11-19/h2-11,14-15,20-21H,12-13,16-17H2,1H3
InChIKeyPHRAJOCHLPXYGR-UHFFFAOYSA-N
MW348.43 g/mol
LogP6.27
Rot. Bonds6

About [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene

[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene (PubChem CID 57085324) has the molecular formula C23H25OP and a molecular weight of 348.43 g/mol. Its IUPAC name is [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene.

Molecular Properties

Compound Name[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene
PubChem CID57085324
Molecular FormulaC23H25OP
Molecular Weight348.43 g/mol
Exact Mass348.16
IUPAC Name[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene
SMILESCP(=O)(C1=CCC1Cc1ccccc1)C1=CCC1Cc1ccccc1
InChIInChI=1S/C23H25OP/c1-25(24,22-14-12-20(22)16-18-8-4-2-5-9-18)23-15-13-21(23)17-19-10-6-3-7-11-19/h2-11,14-15,20-21H,12-13,16-17H2,1H3
InChIKeyPHRAJOCHLPXYGR-UHFFFAOYSA-N
XLogP6.27
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.43
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene?
The IUPAC name of [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene (CID 57085324) is [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene.
What is the SMILES notation for [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene?
The canonical SMILES for [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene is CP(=O)(C1=CCC1Cc1ccccc1)C1=CCC1Cc1ccccc1.
What is the InChIKey of [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene?
The InChIKey is PHRAJOCHLPXYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25OP/c1-25(24,22-14-12-20(22)16-18-8-4-2-5-9-18)23-15-13-21(23)17-19-10-6-3-7-11-19/h2-11,14-15,20-21H,12-13,16-17H2,1H3.
What are the key properties of [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene?
[2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene has a molecular weight of 348.43 g/mol, XLogP of 6.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-benzylcyclobuten-1-yl)-methylphosphoryl]cyclobut-2-en-1-yl]methylbenzene is sourced from PubChem (CID 57085324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).