1,1,2-tris(3-methylphenyl)ethylphosphane

C23H25P — CID 155600016

IUPAC1,1,2-tris(3-methylphenyl)ethylphosphane
SMILESCc1cccc(CC(P)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C23H25P/c1-17-7-4-10-20(13-17)16-23(24,21-11-5-8-18(2)14-21)22-12-6-9-19(3)15-22/h4-15H,16,24H2,1-3H3
InChIKeyCKGYGZLXHVXGDS-UHFFFAOYSA-N
MW332.43 g/mol
LogP5.97
Rot. Bonds4

About 1,1,2-tris(3-methylphenyl)ethylphosphane

1,1,2-tris(3-methylphenyl)ethylphosphane (PubChem CID 155600016) has the molecular formula C23H25P and a molecular weight of 332.43 g/mol. Its IUPAC name is 1,1,2-tris(3-methylphenyl)ethylphosphane.

Molecular Properties

Compound Name1,1,2-tris(3-methylphenyl)ethylphosphane
PubChem CID155600016
Molecular FormulaC23H25P
Molecular Weight332.43 g/mol
Exact Mass332.17
IUPAC Name1,1,2-tris(3-methylphenyl)ethylphosphane
SMILESCc1cccc(CC(P)(c2cccc(C)c2)c2cccc(C)c2)c1
InChIInChI=1S/C23H25P/c1-17-7-4-10-20(13-17)16-23(24,21-11-5-8-18(2)14-21)22-12-6-9-19(3)15-22/h4-15H,16,24H2,1-3H3
InChIKeyCKGYGZLXHVXGDS-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.43
LogP ≤ 55.97
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-bis(3-methylphenyl)propan-2-ol
CID 60798209
1-methyl-3-(2,2,3,3-tetrafluorobutyl)benzene
CID 159642722
2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
CID 144517677
2-methyl-2-[(3-methylphenyl)methyl]propane-1,3-diol
CID 79001727
1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
CID 122240116
2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
CID 105449360
1-[3-chloro-2-(chloromethyl)-2-(3-fluorophenyl)propyl]-3-methylbenzene
CID 79453748
2-(4-chlorophenyl)-1-(3-methylphenyl)propan-2-ol
CID 60799213
2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
CID 115045366
1-[2-benzyl-3-bromo-2-(bromomethyl)propyl]-3-methylbenzene
CID 79453279
2,3-dimethyl-1-(3-methylphenyl)butan-2-ol
CID 60798225
1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518

Frequently Asked Questions

What is the IUPAC name of 1,1,2-tris(3-methylphenyl)ethylphosphane?
The IUPAC name of 1,1,2-tris(3-methylphenyl)ethylphosphane (CID 155600016) is 1,1,2-tris(3-methylphenyl)ethylphosphane.
What is the SMILES notation for 1,1,2-tris(3-methylphenyl)ethylphosphane?
The canonical SMILES for 1,1,2-tris(3-methylphenyl)ethylphosphane is Cc1cccc(CC(P)(c2cccc(C)c2)c2cccc(C)c2)c1.
What is the InChIKey of 1,1,2-tris(3-methylphenyl)ethylphosphane?
The InChIKey is CKGYGZLXHVXGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25P/c1-17-7-4-10-20(13-17)16-23(24,21-11-5-8-18(2)14-21)22-12-6-9-19(3)15-22/h4-15H,16,24H2,1-3H3.
What are the key properties of 1,1,2-tris(3-methylphenyl)ethylphosphane?
1,1,2-tris(3-methylphenyl)ethylphosphane has a molecular weight of 332.43 g/mol, XLogP of 5.97, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-tris(3-methylphenyl)ethylphosphane is sourced from PubChem (CID 155600016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).