1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene

C17H18Cl2 — CID 71242096

IUPAC1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H18Cl2/c1-11-9-13(18)6-7-14(11)12-5-8-15(16(19)10-12)17(2,3)4/h5-10H,1-4H3
InChIKeyDJBCRCDGBLXMQE-UHFFFAOYSA-N
MW293.24 g/mol
LogP6.27
Rot. Bonds1

About 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene

1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene (PubChem CID 71242096) has the molecular formula C17H18Cl2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene.

Molecular Properties

Compound Name1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
PubChem CID71242096
Molecular FormulaC17H18Cl2
Molecular Weight293.24 g/mol
Exact Mass292.08
IUPAC Name1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)(C)C)c(Cl)c1
InChIInChI=1S/C17H18Cl2/c1-11-9-13(18)6-7-14(11)12-5-8-15(16(19)10-12)17(2,3)4/h5-10H,1-4H3
InChIKeyDJBCRCDGBLXMQE-UHFFFAOYSA-N
XLogP6.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.24
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
CID 131990321
4-chloro-2-methyl-1-(4-propan-2-ylphenyl)benzene
CID 71243768
4-(4-chloro-2-methylphenyl)-2-methylaniline
CID 172652420
sodium 4-(4-chloro-2-methylphenyl)phenolate
CID 174930978
4-chloro-1-(4-fluorophenyl)-2-methylbenzene
CID 46314507
3,6-ditert-butyl-2,7-bis(4-chloro-2-methylphenyl)-9H-fluorene
CID 67048776
1,4-dichloro-2-[3-chloro-4-(trifluoromethyl)phenyl]benzene
CID 134625918
3-(4-chloro-2-methylphenyl)aniline
CID 172652401
2-(4-chloro-2-methylphenyl)propan-2-amine
CID 82280968
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
1,4-ditert-butyl-2-chlorobenzene;methane
CID 161178339

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene?
The IUPAC name of 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene (CID 71242096) is 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene.
What is the SMILES notation for 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene?
The canonical SMILES for 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene is Cc1cc(Cl)ccc1-c1ccc(C(C)(C)C)c(Cl)c1.
What is the InChIKey of 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene?
The InChIKey is DJBCRCDGBLXMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18Cl2/c1-11-9-13(18)6-7-14(11)12-5-8-15(16(19)10-12)17(2,3)4/h5-10H,1-4H3.
What are the key properties of 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene?
1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene has a molecular weight of 293.24 g/mol, XLogP of 6.27, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-chloro-4-(4-chloro-2-methylphenyl)benzene is sourced from PubChem (CID 71242096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).