1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene

C15H15OP — CID 68744972

IUPAC1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2P=O)c(C)c1
InChIInChI=1S/C15H15OP/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)17-16/h4-9H,1-3H3
InChIKeyGUWKXVOGDCUUQF-UHFFFAOYSA-N
MW242.26 g/mol
LogP4.20
Rot. Bonds2

About 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene

1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene (PubChem CID 68744972) has the molecular formula C15H15OP and a molecular weight of 242.26 g/mol. Its IUPAC name is 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene.

Molecular Properties

Compound Name1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
PubChem CID68744972
Molecular FormulaC15H15OP
Molecular Weight242.26 g/mol
Exact Mass242.09
IUPAC Name1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene
SMILESCc1cc(C)c(-c2ccccc2P=O)c(C)c1
InChIInChI=1S/C15H15OP/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)17-16/h4-9H,1-3H3
InChIKeyGUWKXVOGDCUUQF-UHFFFAOYSA-N
XLogP4.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

phosphoroso-[2-(2,4,6-trimethylphenyl)phenyl]methanone
CID 87885777
1,3,5-trimethyl-2-(2-phenylphenyl)benzene
CID 18795387
CID 137158148
CID 137158148
2,6-bis(2,4,6-trimethylphenyl)benzeneselenolate
CID 132518583
CID 134905872
CID 134905872
2-[2-[[2,6-bis(2,4,6-trimethylphenyl)phenyl]ditellanyl]-3-(2,4,6-trimethylphenyl)phenyl]-1,3,5-trimethylbenzene
CID 101453137
bis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);nickel(2+)
CID 139137061
2-ethyl-1,3,5-trimethylbenzene;2-phosphorosobenzaldehyde
CID 174902425
1-[2,6-bis(2,4,6-trimethylphenyl)phenyl]-2,3-diphenylphosphirene
CID 101269053
1,2,3-trimethyl-4-(2,4,6-trimethylphenyl)benzene
CID 91568934
2,6-bis(2,4,6-trimethylphenyl)benzoate
CID 102375892
benzene;tetrakis([2,6-bis(2,4,6-trimethylphenyl)phenyl]azanide);bis(manganese(2+))
CID 139162852

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene?
The IUPAC name of 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene (CID 68744972) is 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene.
What is the SMILES notation for 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene?
The canonical SMILES for 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene is Cc1cc(C)c(-c2ccccc2P=O)c(C)c1.
What is the InChIKey of 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene?
The InChIKey is GUWKXVOGDCUUQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15OP/c1-10-8-11(2)15(12(3)9-10)13-6-4-5-7-14(13)17-16/h4-9H,1-3H3.
What are the key properties of 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene?
1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene has a molecular weight of 242.26 g/mol, XLogP of 4.20, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-2-(2-phosphorosophenyl)benzene is sourced from PubChem (CID 68744972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).