1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene

C22H21Cl — CID 176866089

IUPAC1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C22H21Cl/c1-22(2,3)19-12-9-17(10-13-19)20-14-11-18(15-21(20)23)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKeyCSBREDDXJLPXCF-UHFFFAOYSA-N
MW320.86 g/mol
LogP6.97
Rot. Bonds2

About 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene

1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene (PubChem CID 176866089) has the molecular formula C22H21Cl and a molecular weight of 320.86 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
PubChem CID176866089
Molecular FormulaC22H21Cl
Molecular Weight320.86 g/mol
Exact Mass320.13
IUPAC Name1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene
SMILESCC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C22H21Cl/c1-22(2,3)19-12-9-17(10-13-19)20-14-11-18(15-21(20)23)16-7-5-4-6-8-16/h4-15H,1-3H3
InChIKeyCSBREDDXJLPXCF-UHFFFAOYSA-N
XLogP6.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.86
LogP ≤ 56.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

23-chloroundecacyclo[36.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29.230,33.234,37]hexaconta-1(40),2(60),3,5(59),6(58),7,9(57),10(56),11,13(55),14(54),15,17(53),18(52),19,21(51),22,24,26,28,30,32,34,36,38,41,43,45,47,49-triacontaene
CID 102127640
4-tert-butyl-1,2-diphenylbenzene;sulfane
CID 174786417
6-tert-butyl-1-(2,3,4,5-tetraphenylphenyl)azulene
CID 12023823
2,3,6,7,10,11-hexakis(3-phenylphenyl)triphenylene;2,3,6,7,10,11-hexakis-phenyltriphenylene;2,3,6,7,10-pentakis(4-tert-butylphenyl)-11-(4-propan-2-ylphenyl)triphenylene
CID 162246061
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
3-(3-chloro-4-phenylphenyl)benzoic acid
CID 68550089
1,4-bis(4-tert-butylphenyl)naphthalene
CID 123481845
3-chloro-4-(4-phenylphenyl)aniline
CID 107615840
2-chloro-1-(3-methoxyphenyl)-4-phenylbenzene
CID 173255261
11-phenylnonacyclo[28.2.2.22,5.26,9.210,13.214,17.218,21.222,25.226,29]octatetraconta-1(32),2(48),3,5(47),6(46),7,9(45),10,12,14(42),15,17(41),18,20,22,24,26,28,30,33,35,37,39,43-tetracosaene
CID 135036112
1,2,4-triphenylbenzene
CID 518325
1-tert-butyl-4-phenylbenzene;sulfuryl dichloride
CID 174793677

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene?
The IUPAC name of 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene (CID 176866089) is 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene.
What is the SMILES notation for 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene?
The canonical SMILES for 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene is CC(C)(C)c1ccc(-c2ccc(-c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene?
The InChIKey is CSBREDDXJLPXCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl/c1-22(2,3)19-12-9-17(10-13-19)20-14-11-18(15-21(20)23)16-7-5-4-6-8-16/h4-15H,1-3H3.
What are the key properties of 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene?
1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene has a molecular weight of 320.86 g/mol, XLogP of 6.97, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-2-chloro-4-phenylbenzene is sourced from PubChem (CID 176866089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).