(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane

C28H43P — CID 90108297

IUPAC(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
SMILESCCCCc1ccc(P(CCC)c2ccccc2C)c(CCCC)c1CCCC
InChIInChI=1S/C28H43P/c1-6-10-16-24-20-21-28(26(18-12-8-3)25(24)17-11-7-2)29(22-9-4)27-19-14-13-15-23(27)5/h13-15,19-21H,6-12,16-18,22H2,1-5H3
InChIKeyMCYLUMMNQKZUEW-UHFFFAOYSA-N
MW410.63 g/mol
LogP7.87
Rot. Bonds13

About (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane

(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane (PubChem CID 90108297) has the molecular formula C28H43P and a molecular weight of 410.63 g/mol. Its IUPAC name is (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane.

Molecular Properties

Compound Name(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
PubChem CID90108297
Molecular FormulaC28H43P
Molecular Weight410.63 g/mol
Exact Mass410.31
IUPAC Name(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane
SMILESCCCCc1ccc(P(CCC)c2ccccc2C)c(CCCC)c1CCCC
InChIInChI=1S/C28H43P/c1-6-10-16-24-20-21-28(26(18-12-8-3)25(24)17-11-7-2)29(22-9-4)27-19-14-13-15-23(27)5/h13-15,19-21H,6-12,16-18,22H2,1-5H3
InChIKeyMCYLUMMNQKZUEW-UHFFFAOYSA-N
XLogP7.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.63
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

butyl-(2,3-dimethylphenyl)-(2,3,4-tributylphenyl)phosphane
CID 90108443
bis(2,3-dibutylphenyl)-hexylphosphane
CID 158747686
1,2,3,4-tetrabutylbenzene
CID 11220391
butyl-ethyl-(2,3,4-tributylphenyl)phosphane
CID 90109710
bis(2,3-dimethylphenyl)-(2,3,4-tripropylphenyl)phosphane
CID 90108140
1-bis(2,3,4-tributylphenyl)phosphanyloctyl-bis(2,3,4-tributylphenyl)phosphane
CID 90111453
1,2,3-tributyl-4-(2-phenylethynyl)benzene
CID 151511337
tetrakis(hexane);tris(1,2-xylene)
CID 173431292
(2-methylphenyl)-dioctylphosphane
CID 70128590
[1-bis(2,3-dibutylphenyl)phosphanylcyclohexyl]-bis(2,3-dibutylphenyl)phosphane
CID 90110687
1,1-bis[bis(2,3-dibutylphenyl)phosphanyl]butyl-bis(2,3-dibutylphenyl)phosphane
CID 90107998
(2,3-dibutylphenyl)-methyl-phenylphosphane
CID 90110911

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane?
The IUPAC name of (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane (CID 90108297) is (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane.
What is the SMILES notation for (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane?
The canonical SMILES for (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane is CCCCc1ccc(P(CCC)c2ccccc2C)c(CCCC)c1CCCC.
What is the InChIKey of (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane?
The InChIKey is MCYLUMMNQKZUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H43P/c1-6-10-16-24-20-21-28(26(18-12-8-3)25(24)17-11-7-2)29(22-9-4)27-19-14-13-15-23(27)5/h13-15,19-21H,6-12,16-18,22H2,1-5H3.
What are the key properties of (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane?
(2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane has a molecular weight of 410.63 g/mol, XLogP of 7.87, 13 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-propyl-(2,3,4-tributylphenyl)phosphane is sourced from PubChem (CID 90108297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).