1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene

C15H16 — CID 158920303

IUPAC1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene
SMILES[2H]C([2H])(C)c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C15H16/c1-3-13-9-10-15(11-12(13)2)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3/i3D2
InChIKeyBXCWYHGNEURYOI-SMZGMGDZSA-N
MW198.31 g/mol
LogP4.22
Rot. Bonds2

About 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene

1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene (PubChem CID 158920303) has the molecular formula C15H16 and a molecular weight of 198.31 g/mol. Its IUPAC name is 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene.

Molecular Properties

Compound Name1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene
PubChem CID158920303
Molecular FormulaC15H16
Molecular Weight198.31 g/mol
Exact Mass198.14
IUPAC Name1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene
SMILES[2H]C([2H])(C)c1ccc(-c2ccccc2)cc1C
InChIInChI=1S/C15H16/c1-3-13-9-10-15(11-12(13)2)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3/i3D2
InChIKeyBXCWYHGNEURYOI-SMZGMGDZSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene;methane;2-methyl-4-phenyl-1-(trideuteriomethyl)benzene;3-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 158920302
1-methyl-4-[(2-methyl-4-phenylphenyl)methyl]piperazine
CID 123373563
1-ethyl-2,4-diphenylbenzene
CID 59359551
2-methyl-4-(4-phenylphenyl)phenol
CID 83131251
CID 68659666
CID 68659666
2-methyl-4-phenyl-N,N-bis(4-phenylphenyl)aniline
CID 90277832
methyl 2-amino-3-(2-methyl-4-phenylphenyl)propanoate
CID 174643019
2,6-dimethyl-4-(4-phenylphenyl)phenol
CID 22900078
2-[4-(4-hydroxyphenyl)-2-methylphenyl]acetic acid
CID 69250677
1,2-dimethyl-4-phenylbenzene;2H-triazole
CID 158820785
2-(2-methyl-5-phenylphenyl)ethanamine
CID 115027519
5-phenyl-2-propylaniline
CID 165495824

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene?
The IUPAC name of 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene (CID 158920303) is 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene.
What is the SMILES notation for 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene?
The canonical SMILES for 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene is [2H]C([2H])(C)c1ccc(-c2ccccc2)cc1C.
What is the InChIKey of 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene?
The InChIKey is BXCWYHGNEURYOI-SMZGMGDZSA-N. The full InChI is InChI=1S/C15H16/c1-3-13-9-10-15(11-12(13)2)14-7-5-4-6-8-14/h4-11H,3H2,1-2H3/i3D2.
What are the key properties of 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene?
1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene has a molecular weight of 198.31 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-dideuterioethyl)-2-methyl-4-phenylbenzene is sourced from PubChem (CID 158920303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).