2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

C28H32O2 — CID 4651661

IUPAC2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(O)C(c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3
InChIKeyHVHLUFAYNCBUBY-UHFFFAOYSA-N
MW400.56 g/mol
LogP6.22
Rot. Bonds5

About 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one

2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 4651661) has the molecular formula C28H32O2 and a molecular weight of 400.56 g/mol. Its IUPAC name is 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
PubChem CID4651661
Molecular FormulaC28H32O2
Molecular Weight400.56 g/mol
Exact Mass400.24
IUPAC Name2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(O)C(c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1
InChIInChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3
InChIKeyHVHLUFAYNCBUBY-UHFFFAOYSA-N
XLogP6.22
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.56
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one (CID 4651661) is 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(O)C(c2ccccc2)c2c(C)c(C)cc(C)c2C)c(C)c1.
What is the InChIKey of 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is HVHLUFAYNCBUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32O2/c1-16-13-19(4)24(20(5)14-16)27(29)28(30)26(23-11-9-8-10-12-23)25-21(6)17(2)15-18(3)22(25)7/h8-15,26,28,30H,1-7H3.
What are the key properties of 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one?
2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 400.56 g/mol, XLogP of 6.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-phenyl-3-(2,3,5,6-tetramethylphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 4651661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).