[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

C18H29O2P — CID 22183894

IUPAC[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(CC(C)C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H29O2P/c1-12(2)11-21(20,18(6,7)8)17(19)16-14(4)9-13(3)10-15(16)5/h9-10,12H,11H2,1-8H3
InChIKeyKXAXXCHDQPXAMW-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.57
Rot. Bonds4

About [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone

[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 22183894) has the molecular formula C18H29O2P and a molecular weight of 308.40 g/mol. Its IUPAC name is [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID22183894
Molecular FormulaC18H29O2P
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(CC(C)C)C(C)(C)C)c(C)c1
InChIInChI=1S/C18H29O2P/c1-12(2)11-21(20,18(6,7)8)17(19)16-14(4)9-13(3)10-15(16)5/h9-10,12H,11H2,1-8H3
InChIKeyKXAXXCHDQPXAMW-UHFFFAOYSA-N
XLogP5.57
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 22183894) is [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(CC(C)C)C(C)(C)C)c(C)c1.
What is the InChIKey of [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is KXAXXCHDQPXAMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O2P/c1-12(2)11-21(20,18(6,7)8)17(19)16-14(4)9-13(3)10-15(16)5/h9-10,12H,11H2,1-8H3.
What are the key properties of [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 308.40 g/mol, XLogP of 5.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [tert-butyl(2-methylpropyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 22183894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).