1,2-bis(2,4,6-trimethylphenyl)propan-1-one

C21H26O — CID 14636852

IUPAC1,2-bis(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H26O/c1-12-8-14(3)19(15(4)9-12)18(7)21(22)20-16(5)10-13(2)11-17(20)6/h8-11,18H,1-7H3
InChIKeyYUQVRFQUHPUGCW-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.52
Rot. Bonds3

About 1,2-bis(2,4,6-trimethylphenyl)propan-1-one

1,2-bis(2,4,6-trimethylphenyl)propan-1-one (PubChem CID 14636852) has the molecular formula C21H26O and a molecular weight of 294.44 g/mol. Its IUPAC name is 1,2-bis(2,4,6-trimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1,2-bis(2,4,6-trimethylphenyl)propan-1-one
PubChem CID14636852
Molecular FormulaC21H26O
Molecular Weight294.44 g/mol
Exact Mass294.20
IUPAC Name1,2-bis(2,4,6-trimethylphenyl)propan-1-one
SMILESCc1cc(C)c(C(=O)C(C)c2c(C)cc(C)cc2C)c(C)c1
InChIInChI=1S/C21H26O/c1-12-8-14(3)19(15(4)9-12)18(7)21(22)20-16(5)10-13(2)11-17(20)6/h8-11,18H,1-7H3
InChIKeyYUQVRFQUHPUGCW-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-bis(2,4,6-trimethylphenyl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
(2R)-2-amino-1-(2,4,6-trimethylphenyl)propan-1-one
CID 868051
2,2-difluoro-1-(2,4,6-trimethylphenyl)ethanone
CID 103513549
2-methyl-1-(2,4,6-trimethylphenyl)butan-1-one
CID 43159904
2-[1,3-dioxo-1,3-bis(2,4,6-trimethylphenyl)propan-2-yl]oxy-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 141040043
2-phosphoroso-1,3-bis(2,4,6-trimethylphenyl)propane-1,3-dione
CID 22735025
2-ethyl-4-methyl-1-(2,4,6-trimethylphenyl)pentan-1-one
CID 174440509
3-amino-2-hydroxy-1-(2,4,6-trimethylphenyl)propan-1-one
CID 116826580
trihydroxy-(2,4,6-trimethylbenzoyl)phosphanium
CID 159688001
2-(2-fluoro-4,6-dimethylphenyl)propanoic acid
CID 84773931
2,4-dichloro-1-(2,4,6-trimethylphenyl)butan-1-one
CID 82121115
1-(2,4,6-trimethylphenyl)ethanone;hydrochloride
CID 131862336

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)propan-1-one?
The IUPAC name of 1,2-bis(2,4,6-trimethylphenyl)propan-1-one (CID 14636852) is 1,2-bis(2,4,6-trimethylphenyl)propan-1-one.
What is the SMILES notation for 1,2-bis(2,4,6-trimethylphenyl)propan-1-one?
The canonical SMILES for 1,2-bis(2,4,6-trimethylphenyl)propan-1-one is Cc1cc(C)c(C(=O)C(C)c2c(C)cc(C)cc2C)c(C)c1.
What is the InChIKey of 1,2-bis(2,4,6-trimethylphenyl)propan-1-one?
The InChIKey is YUQVRFQUHPUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26O/c1-12-8-14(3)19(15(4)9-12)18(7)21(22)20-16(5)10-13(2)11-17(20)6/h8-11,18H,1-7H3.
What are the key properties of 1,2-bis(2,4,6-trimethylphenyl)propan-1-one?
1,2-bis(2,4,6-trimethylphenyl)propan-1-one has a molecular weight of 294.44 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2,4,6-trimethylphenyl)propan-1-one is sourced from PubChem (CID 14636852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).