2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one

C27H30O — CID 155310115

IUPAC2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30O/c1-27(2,3)26(28)25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-9-21-7-5-4-6-8-21/h4-8,11-14,17-20H,9-10,15-16H2,1-3H3
InChIKeyAHHMFYJSIDQLOO-UHFFFAOYSA-N
MW370.54 g/mol
LogP6.49
Rot. Bonds7

About 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one

2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one (PubChem CID 155310115) has the molecular formula C27H30O and a molecular weight of 370.54 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
PubChem CID155310115
Molecular FormulaC27H30O
Molecular Weight370.54 g/mol
Exact Mass370.23
IUPAC Name2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one
SMILESCC(C)(C)C(=O)c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1
InChIInChI=1S/C27H30O/c1-27(2,3)26(28)25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-9-21-7-5-4-6-8-21/h4-8,11-14,17-20H,9-10,15-16H2,1-3H3
InChIKeyAHHMFYJSIDQLOO-UHFFFAOYSA-N
XLogP6.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-one
CID 14125672
1-(4-hexylphenyl)-2,2-dimethylpropan-1-one
CID 59409785
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
4-(2-phenylethyl)benzamide
CID 23130460
2,2-dimethyl-1-[4-(N-phenylanilino)phenyl]propan-1-one
CID 86015033
2,2-dibromo-1-[4-(2-phenylethyl)phenyl]ethanone
CID 3008754
2-amino-2-phenyl-1-(4-propylphenyl)propan-1-one
CID 116563828
1-[4-[2-amino-3-[4-(2,2-dimethylpropanoyl)phenyl]propyl]phenyl]-2,2-dimethylpropan-1-one
CID 21425486
2,2-dimethyl-1,3-diphenylpropan-1-one
CID 12892486
4-(2,2-dimethylpropanoyl)-N-phenylbenzamide
CID 18949256
1-[4-[(E)-4-[4-(2,2-dimethylpropanoyl)phenyl]-2,2,5,5-tetramethylhex-3-en-3-yl]phenyl]-2,2-dimethylpropan-1-one
CID 15372819
1-[4-[2,3-difluoro-4-(4-propylphenyl)phenyl]phenyl]-2,2-dimethylpropan-1-one
CID 142331585

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one (CID 155310115) is 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one is CC(C)(C)C(=O)c1ccc(CCc2ccc(CCc3ccccc3)cc2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one?
The InChIKey is AHHMFYJSIDQLOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30O/c1-27(2,3)26(28)25-19-17-24(18-20-25)16-15-23-13-11-22(12-14-23)10-9-21-7-5-4-6-8-21/h4-8,11-14,17-20H,9-10,15-16H2,1-3H3.
What are the key properties of 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one?
2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one has a molecular weight of 370.54 g/mol, XLogP of 6.49, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[2-[4-(2-phenylethyl)phenyl]ethyl]phenyl]propan-1-one is sourced from PubChem (CID 155310115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).