3,3-bis(2,3,4-trimethylphenyl)propylphosphane

C21H29P — CID 90110329

IUPAC3,3-bis(2,3,4-trimethylphenyl)propylphosphane
SMILESCc1ccc(C(CCP)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H29P/c1-13-7-9-19(17(5)15(13)3)21(11-12-22)20-10-8-14(2)16(4)18(20)6/h7-10,21H,11-12,22H2,1-6H3
InChIKeyLIIRHKSYFZOWOS-UHFFFAOYSA-N
MW312.44 g/mol
LogP5.93
Rot. Bonds4

About 3,3-bis(2,3,4-trimethylphenyl)propylphosphane

3,3-bis(2,3,4-trimethylphenyl)propylphosphane (PubChem CID 90110329) has the molecular formula C21H29P and a molecular weight of 312.44 g/mol. Its IUPAC name is 3,3-bis(2,3,4-trimethylphenyl)propylphosphane.

Molecular Properties

Compound Name3,3-bis(2,3,4-trimethylphenyl)propylphosphane
PubChem CID90110329
Molecular FormulaC21H29P
Molecular Weight312.44 g/mol
Exact Mass312.20
IUPAC Name3,3-bis(2,3,4-trimethylphenyl)propylphosphane
SMILESCc1ccc(C(CCP)c2ccc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C21H29P/c1-13-7-9-19(17(5)15(13)3)21(11-12-22)20-10-8-14(2)16(4)18(20)6/h7-10,21H,11-12,22H2,1-6H3
InChIKeyLIIRHKSYFZOWOS-UHFFFAOYSA-N
XLogP5.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.44
LogP ≤ 55.93
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

1-(2,3,4-trimethylphenyl)ethanol
CID 130125335
1-(2,3,4-trimethylphenyl)ethane-1,2-diamine
CID 116855521
2-amino-2-(2,3,4-trimethylphenyl)ethanethiol
CID 116830565
2-methyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116934101
ruthenium;1,2,3,4-tetramethylbenzene
CID 158325243
N,N-dimethyl-1-(2,3,4-trimethylphenyl)ethanamine
CID 116914689
N,N'-dimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116949515
3-amino-3-(2,3,4-trimethylphenyl)propanamide
CID 116850990
2-N,2-dimethyl-1-(2,3,4-trimethylphenyl)propane-1,2-diamine
CID 116938967
4-(dimethylamino)-4-(2,3,4-trimethylphenyl)butanenitrile
CID 116910142
N,N,2-trimethyl-1-(2,3,4-trimethylphenyl)butane-1,4-diamine
CID 116905417
1-[1-(2,4-dimethylphenyl)ethyl]-2,3,4-trimethylbenzene
CID 173435517

Frequently Asked Questions

What is the IUPAC name of 3,3-bis(2,3,4-trimethylphenyl)propylphosphane?
The IUPAC name of 3,3-bis(2,3,4-trimethylphenyl)propylphosphane (CID 90110329) is 3,3-bis(2,3,4-trimethylphenyl)propylphosphane.
What is the SMILES notation for 3,3-bis(2,3,4-trimethylphenyl)propylphosphane?
The canonical SMILES for 3,3-bis(2,3,4-trimethylphenyl)propylphosphane is Cc1ccc(C(CCP)c2ccc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of 3,3-bis(2,3,4-trimethylphenyl)propylphosphane?
The InChIKey is LIIRHKSYFZOWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29P/c1-13-7-9-19(17(5)15(13)3)21(11-12-22)20-10-8-14(2)16(4)18(20)6/h7-10,21H,11-12,22H2,1-6H3.
What are the key properties of 3,3-bis(2,3,4-trimethylphenyl)propylphosphane?
3,3-bis(2,3,4-trimethylphenyl)propylphosphane has a molecular weight of 312.44 g/mol, XLogP of 5.93, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis(2,3,4-trimethylphenyl)propylphosphane is sourced from PubChem (CID 90110329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).