1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one

C24H32OS — CID 10595240

IUPAC1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one
SMILESCC(C)c1cc(C(C)C)c(SCCC(=O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32OS/c1-16(2)20-14-21(17(3)4)24(22(15-20)18(5)6)26-13-12-23(25)19-10-8-7-9-11-19/h7-11,14-18H,12-13H2,1-6H3
InChIKeyBUUDPQGOBPWZMH-UHFFFAOYSA-N
MW368.59 g/mol
LogP7.42
Rot. Bonds8

About 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one

1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one (PubChem CID 10595240) has the molecular formula C24H32OS and a molecular weight of 368.59 g/mol. Its IUPAC name is 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one.

Molecular Properties

Compound Name1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one
PubChem CID10595240
Molecular FormulaC24H32OS
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one
SMILESCC(C)c1cc(C(C)C)c(SCCC(=O)c2ccccc2)c(C(C)C)c1
InChIInChI=1S/C24H32OS/c1-16(2)20-14-21(17(3)4)24(22(15-20)18(5)6)26-13-12-23(25)19-10-8-7-9-11-19/h7-11,14-18H,12-13H2,1-6H3
InChIKeyBUUDPQGOBPWZMH-UHFFFAOYSA-N
XLogP7.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.59
LogP ≤ 57.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one?
The IUPAC name of 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one (CID 10595240) is 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one.
What is the SMILES notation for 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one?
The canonical SMILES for 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one is CC(C)c1cc(C(C)C)c(SCCC(=O)c2ccccc2)c(C(C)C)c1.
What is the InChIKey of 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one?
The InChIKey is BUUDPQGOBPWZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32OS/c1-16(2)20-14-21(17(3)4)24(22(15-20)18(5)6)26-13-12-23(25)19-10-8-7-9-11-19/h7-11,14-18H,12-13H2,1-6H3.
What are the key properties of 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one?
1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one has a molecular weight of 368.59 g/mol, XLogP of 7.42, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2,4,6-tri(propan-2-yl)phenyl]sulfanylpropan-1-one is sourced from PubChem (CID 10595240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).