1-tert-butyl-4-phenylbenzene;sulfuryl dichloride

C16H18Cl2O2S — CID 174793677

IUPAC1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C16H18.Cl2O2S/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-5(2,3)4/h4-12H,1-3H3;
InChIKeyPHWVARKOMYIQCM-UHFFFAOYSA-N
MW345.29 g/mol
LogP5.36
Rot. Bonds1

About 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride

1-tert-butyl-4-phenylbenzene;sulfuryl dichloride (PubChem CID 174793677) has the molecular formula C16H18Cl2O2S and a molecular weight of 345.29 g/mol. Its IUPAC name is 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride.

Molecular Properties

Compound Name1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
PubChem CID174793677
Molecular FormulaC16H18Cl2O2S
Molecular Weight345.29 g/mol
Exact Mass344.04
IUPAC Name1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
SMILESCC(C)(C)c1ccc(-c2ccccc2)cc1.O=S(=O)(Cl)Cl
InChIInChI=1S/C16H18.Cl2O2S/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-5(2,3)4/h4-12H,1-3H3;
InChIKeyPHWVARKOMYIQCM-UHFFFAOYSA-N
XLogP5.36
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.29
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-2,3,4,5,6-pentakis-phenylbenzene
CID 140865930
1-[4-(4-tert-butylphenyl)sulfonylphenyl]sulfanyl-4-phenylbenzene
CID 134591470
1-(1,1-dichloroethyl)-4-phenylbenzene
CID 15702295
2-(4-tert-butylphenyl)-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 134252303
sulfuryl dichloride;tritylbenzene
CID 174476389
N-(4-tert-butylphenyl)-N-methyl-4-phenylaniline
CID 70891344
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-(1,1-diphenylethyl)-4-phenylbenzene
CID 143113230
1-(3-chloro-2,3-dimethylbutan-2-yl)-4-phenylbenzene
CID 12808931
1-tert-butyl-4-(3-deuteriophenyl)benzene
CID 157318473
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
CID 176866089
2-tert-butylnaphthalene;1-tert-butyl-4-phenylbenzene
CID 159502457

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride?
The IUPAC name of 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride (CID 174793677) is 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride.
What is the SMILES notation for 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride?
The canonical SMILES for 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride is CC(C)(C)c1ccc(-c2ccccc2)cc1.O=S(=O)(Cl)Cl.
What is the InChIKey of 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride?
The InChIKey is PHWVARKOMYIQCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18.Cl2O2S/c1-16(2,3)15-11-9-14(10-12-15)13-7-5-4-6-8-13;1-5(2,3)4/h4-12H,1-3H3;.
What are the key properties of 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride?
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride has a molecular weight of 345.29 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-phenylbenzene;sulfuryl dichloride is sourced from PubChem (CID 174793677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).