1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene

C24H27OP — CID 118862460

IUPAC1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
SMILESCc1cccc(P(=O)(c2cccc(C)c2C)c2cccc(C)c2C)c1C
InChIInChI=1S/C24H27OP/c1-16-10-7-13-22(19(16)4)26(25,23-14-8-11-17(2)20(23)5)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3
InChIKeyDPHWISCWRQKJHX-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.18
Rot. Bonds3

About 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene

1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene (PubChem CID 118862460) has the molecular formula C24H27OP and a molecular weight of 362.45 g/mol. Its IUPAC name is 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
PubChem CID118862460
Molecular FormulaC24H27OP
Molecular Weight362.45 g/mol
Exact Mass362.18
IUPAC Name1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene
SMILESCc1cccc(P(=O)(c2cccc(C)c2C)c2cccc(C)c2C)c1C
InChIInChI=1S/C24H27OP/c1-16-10-7-13-22(19(16)4)26(25,23-14-8-11-17(2)20(23)5)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3
InChIKeyDPHWISCWRQKJHX-UHFFFAOYSA-N
XLogP5.18
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.18
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

phosphoric acid;tris(1,2,3-trimethylbenzene)
CID 175926272
ethane;1,2,3-trimethylbenzene
CID 54068667
benzene;1,2,3-trimethylbenzene
CID 159605245
potassium;1,2,3-trimethylbenzene;chloride
CID 174813799
methylsulfinylmethane;1,2,3-trimethylbenzene
CID 174947389
(2-amino-3-methylphenyl)phosphonic acid
CID 19089383
1,2,4,5-tetramethylbenzene;1,2,3-trimethylbenzene
CID 158486906
methane;1,2,3-trimethylbenzene;1,2-xylene
CID 157250417
(2-methylphenyl)phosphonic acid;dihydrochloride
CID 70471914
2-dimethylphosphoryl-1,3-dimethylbenzene
CID 146299903
phosphenous acid;1,2,3-trimethylbenzene
CID 174913168
bis[(2,3-dimethylphenyl)silyl]phosphinic acid
CID 173270331

Frequently Asked Questions

What is the IUPAC name of 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene?
The IUPAC name of 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene (CID 118862460) is 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene.
What is the SMILES notation for 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene?
The canonical SMILES for 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene is Cc1cccc(P(=O)(c2cccc(C)c2C)c2cccc(C)c2C)c1C.
What is the InChIKey of 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene?
The InChIKey is DPHWISCWRQKJHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27OP/c1-16-10-7-13-22(19(16)4)26(25,23-14-8-11-17(2)20(23)5)24-15-9-12-18(3)21(24)6/h7-15H,1-6H3.
What are the key properties of 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene?
1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene has a molecular weight of 362.45 g/mol, XLogP of 5.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bis(2,3-dimethylphenyl)phosphoryl-2,3-dimethylbenzene is sourced from PubChem (CID 118862460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).