1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone

C25H37OP — CID 15310838

IUPAC1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone
SMILESCC(=O)c1c(C)ccp1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H37OP/c1-16-12-13-27(21(16)17(2)26)22-19(24(6,7)8)14-18(23(3,4)5)15-20(22)25(9,10)11/h12-15H,1-11H3
InChIKeyGZOCLBVLIJVRKS-UHFFFAOYSA-N
MW384.54 g/mol
LogP8.07
Rot. Bonds2

About 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone

1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone (PubChem CID 15310838) has the molecular formula C25H37OP and a molecular weight of 384.54 g/mol. Its IUPAC name is 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone
PubChem CID15310838
Molecular FormulaC25H37OP
Molecular Weight384.54 g/mol
Exact Mass384.26
IUPAC Name1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone
SMILESCC(=O)c1c(C)ccp1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C
InChIInChI=1S/C25H37OP/c1-16-12-13-27(21(16)17(2)26)22-19(24(6,7)8)14-18(23(3,4)5)15-20(22)25(9,10)11/h12-15H,1-11H3
InChIKeyGZOCLBVLIJVRKS-UHFFFAOYSA-N
XLogP8.07
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.54
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]propan-1-one
CID 10692275
1-(4-tert-butyl-2-methylphenyl)ethanone;methane
CID 161237791
4-(5-tert-butyl-2-methylphenyl)-4-methylpentan-2-one
CID 82086313
1,5-ditert-butyl-2-[3-(2,4-ditert-butyl-6-methylphenyl)propyl]-3-methylbenzene
CID 174153590
1-(3,5-ditert-butyl-4-methylphenyl)ethanone
CID 71103075
1-(2-tert-butyl-5-chlorophenyl)ethanone
CID 84781393
tris(3,5-ditert-butyl-2-hydroxybenzoic acid);iron
CID 164898882
CID 15962849
CID 15962849
methyl 2,4,6-tritert-butylbenzoate
CID 5059268
4-tert-butyl-2,6-dimethylbenzoyl cyanide
CID 116918980
tris(3,4-ditert-butylphenyl)methanol
CID 155667847
CID 135046337
CID 135046337

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone?
The IUPAC name of 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone (CID 15310838) is 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone.
What is the SMILES notation for 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone?
The canonical SMILES for 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone is CC(=O)c1c(C)ccp1-c1c(C(C)(C)C)cc(C(C)(C)C)cc1C(C)(C)C.
What is the InChIKey of 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone?
The InChIKey is GZOCLBVLIJVRKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37OP/c1-16-12-13-27(21(16)17(2)26)22-19(24(6,7)8)14-18(23(3,4)5)15-20(22)25(9,10)11/h12-15H,1-11H3.
What are the key properties of 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone?
1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone has a molecular weight of 384.54 g/mol, XLogP of 8.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-1-(2,4,6-tritert-butylphenyl)phosphol-2-yl]ethanone is sourced from PubChem (CID 15310838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).