[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone

C32H37O3P — CID 70096897

IUPAC[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone
SMILESCc1cc(CC(C)C)cc(C)c1C(=O)c1cccc(P=O)c1C(=O)c1c(C)cc(CC(C)C)cc1C
InChIInChI=1S/C32H37O3P/c1-18(2)12-24-14-20(5)28(21(6)15-24)31(33)26-10-9-11-27(36-35)30(26)32(34)29-22(7)16-25(13-19(3)4)17-23(29)8/h9-11,14-19H,12-13H2,1-8H3
InChIKeyKFMNEHACACNKDZ-UHFFFAOYSA-N
MW500.62 g/mol
LogP7.70
Rot. Bonds9

About [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone

[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone (PubChem CID 70096897) has the molecular formula C32H37O3P and a molecular weight of 500.62 g/mol. Its IUPAC name is [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone
PubChem CID70096897
Molecular FormulaC32H37O3P
Molecular Weight500.62 g/mol
Exact Mass500.25
IUPAC Name[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone
SMILESCc1cc(CC(C)C)cc(C)c1C(=O)c1cccc(P=O)c1C(=O)c1c(C)cc(CC(C)C)cc1C
InChIInChI=1S/C32H37O3P/c1-18(2)12-24-14-20(5)28(21(6)15-24)31(33)26-10-9-11-27(36-35)30(26)32(34)29-22(7)16-25(13-19(3)4)17-23(29)8/h9-11,14-19H,12-13H2,1-8H3
InChIKeyKFMNEHACACNKDZ-UHFFFAOYSA-N
XLogP7.70
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.62
LogP ≤ 57.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone?
The IUPAC name of [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone (CID 70096897) is [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone.
What is the SMILES notation for [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone?
The canonical SMILES for [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone is Cc1cc(CC(C)C)cc(C)c1C(=O)c1cccc(P=O)c1C(=O)c1c(C)cc(CC(C)C)cc1C.
What is the InChIKey of [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone?
The InChIKey is KFMNEHACACNKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37O3P/c1-18(2)12-24-14-20(5)28(21(6)15-24)31(33)26-10-9-11-27(36-35)30(26)32(34)29-22(7)16-25(13-19(3)4)17-23(29)8/h9-11,14-19H,12-13H2,1-8H3.
What are the key properties of [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone?
[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone has a molecular weight of 500.62 g/mol, XLogP of 7.70, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone is sourced from PubChem (CID 70096897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).