[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane

C26H25P — CID 67855061

IUPAC[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
SMILESCc1ccccc1C1(CP(c2ccccc2)c2ccccc2)C=CC=CC1
InChIInChI=1S/C26H25P/c1-22-13-9-10-18-25(22)26(19-11-4-12-20-26)21-27(23-14-5-2-6-15-23)24-16-7-3-8-17-24/h2-19H,20-21H2,1H3
InChIKeyIQBVLIOTHUHQNE-UHFFFAOYSA-N
MW368.46 g/mol
LogP5.88
Rot. Bonds5

About [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane

[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane (PubChem CID 67855061) has the molecular formula C26H25P and a molecular weight of 368.46 g/mol. Its IUPAC name is [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane.

Molecular Properties

Compound Name[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
PubChem CID67855061
Molecular FormulaC26H25P
Molecular Weight368.46 g/mol
Exact Mass368.17
IUPAC Name[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane
SMILESCc1ccccc1C1(CP(c2ccccc2)c2ccccc2)C=CC=CC1
InChIInChI=1S/C26H25P/c1-22-13-9-10-18-25(22)26(19-11-4-12-20-26)21-27(23-14-5-2-6-15-23)24-16-7-3-8-17-24/h2-19H,20-21H2,1H3
InChIKeyIQBVLIOTHUHQNE-UHFFFAOYSA-N
XLogP5.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.46
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane?
The IUPAC name of [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane (CID 67855061) is [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane.
What is the SMILES notation for [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane?
The canonical SMILES for [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane is Cc1ccccc1C1(CP(c2ccccc2)c2ccccc2)C=CC=CC1.
What is the InChIKey of [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane?
The InChIKey is IQBVLIOTHUHQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25P/c1-22-13-9-10-18-25(22)26(19-11-4-12-20-26)21-27(23-14-5-2-6-15-23)24-16-7-3-8-17-24/h2-19H,20-21H2,1H3.
What are the key properties of [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane?
[1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane has a molecular weight of 368.46 g/mol, XLogP of 5.88, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylphenyl)cyclohexa-2,4-dien-1-yl]methyl-diphenylphosphane is sourced from PubChem (CID 67855061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).