1-tert-butyl-4-(3-deuteriophenyl)benzene

C16H18 — CID 157318473

IUPAC1-tert-butyl-4-(3-deuteriophenyl)benzene
SMILES[2H]c1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3/i5D
InChIKeyCDOYZTOFTGTGBC-UICOGKGYSA-N
MW211.33 g/mol
LogP4.65
Rot. Bonds1

About 1-tert-butyl-4-(3-deuteriophenyl)benzene

1-tert-butyl-4-(3-deuteriophenyl)benzene (PubChem CID 157318473) has the molecular formula C16H18 and a molecular weight of 211.33 g/mol. Its IUPAC name is 1-tert-butyl-4-(3-deuteriophenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-4-(3-deuteriophenyl)benzene
PubChem CID157318473
Molecular FormulaC16H18
Molecular Weight211.33 g/mol
Exact Mass211.15
IUPAC Name1-tert-butyl-4-(3-deuteriophenyl)benzene
SMILES[2H]c1cccc(-c2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3/i5D
InChIKeyCDOYZTOFTGTGBC-UICOGKGYSA-N
XLogP4.65
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3,5-dideuteriobenzene
CID 102070326
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1-N,3-N-bis(4-tert-butylphenyl)-1-N,3-N,5-tris(4-phenylphenyl)benzene-1,3-diamine
CID 90097412
1-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457
5,6,11,12-tetrakis(4-tert-butylphenyl)tetracene
CID 22935008
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-(3-deuteriophenyl)benzene?
The IUPAC name of 1-tert-butyl-4-(3-deuteriophenyl)benzene (CID 157318473) is 1-tert-butyl-4-(3-deuteriophenyl)benzene.
What is the SMILES notation for 1-tert-butyl-4-(3-deuteriophenyl)benzene?
The canonical SMILES for 1-tert-butyl-4-(3-deuteriophenyl)benzene is [2H]c1cccc(-c2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of 1-tert-butyl-4-(3-deuteriophenyl)benzene?
The InChIKey is CDOYZTOFTGTGBC-UICOGKGYSA-N. The full InChI is InChI=1S/C16H18/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13/h4-12H,1-3H3/i5D.
What are the key properties of 1-tert-butyl-4-(3-deuteriophenyl)benzene?
1-tert-butyl-4-(3-deuteriophenyl)benzene has a molecular weight of 211.33 g/mol, XLogP of 4.65, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-(3-deuteriophenyl)benzene is sourced from PubChem (CID 157318473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).