2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene

C18H21OP — CID 129218823

IUPAC2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCCc1cccc(P=O)c1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H21OP/c1-5-15-7-6-8-18(20-19)17(15)11-16-13(3)9-12(2)10-14(16)4/h6-10H,5,11H2,1-4H3
InChIKeyTYHFQNAFVQAUFH-UHFFFAOYSA-N
MW284.34 g/mol
LogP4.68
Rot. Bonds4

About 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene

2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene (PubChem CID 129218823) has the molecular formula C18H21OP and a molecular weight of 284.34 g/mol. Its IUPAC name is 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene.

Molecular Properties

Compound Name2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene
PubChem CID129218823
Molecular FormulaC18H21OP
Molecular Weight284.34 g/mol
Exact Mass284.13
IUPAC Name2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene
SMILESCCc1cccc(P=O)c1Cc1c(C)cc(C)cc1C
InChIInChI=1S/C18H21OP/c1-5-15-7-6-8-18(20-19)17(15)11-16-13(3)9-12(2)10-14(16)4/h6-10H,5,11H2,1-4H3
InChIKeyTYHFQNAFVQAUFH-UHFFFAOYSA-N
XLogP4.68
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 54.68
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-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene?
The IUPAC name of 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene (CID 129218823) is 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene.
What is the SMILES notation for 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene?
The canonical SMILES for 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene is CCc1cccc(P=O)c1Cc1c(C)cc(C)cc1C.
What is the InChIKey of 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene?
The InChIKey is TYHFQNAFVQAUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21OP/c1-5-15-7-6-8-18(20-19)17(15)11-16-13(3)9-12(2)10-14(16)4/h6-10H,5,11H2,1-4H3.
What are the key properties of 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene?
2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene has a molecular weight of 284.34 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-ethyl-6-phosphorosophenyl)methyl]-1,3,5-trimethylbenzene is sourced from PubChem (CID 129218823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).