2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene

C16H16Cl2 — CID 131990321

IUPAC2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C16H16Cl2/c1-10(2)14-6-4-12(9-16(14)18)15-7-5-13(17)8-11(15)3/h4-10H,1-3H3
InChIKeyYJZUIECWUPCAGN-UHFFFAOYSA-N
MW279.21 g/mol
LogP6.09
Rot. Bonds2

About 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene

2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene (PubChem CID 131990321) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
PubChem CID131990321
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C(C)C)c(Cl)c1
InChIInChI=1S/C16H16Cl2/c1-10(2)14-6-4-12(9-16(14)18)15-7-5-13(17)8-11(15)3/h4-10H,1-3H3
InChIKeyYJZUIECWUPCAGN-UHFFFAOYSA-N
XLogP6.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 56.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene?
The IUPAC name of 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene (CID 131990321) is 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene.
What is the SMILES notation for 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene?
The canonical SMILES for 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene is Cc1cc(Cl)ccc1-c1ccc(C(C)C)c(Cl)c1.
What is the InChIKey of 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene?
The InChIKey is YJZUIECWUPCAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c1-10(2)14-6-4-12(9-16(14)18)15-7-5-13(17)8-11(15)3/h4-10H,1-3H3.
What are the key properties of 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene?
2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene has a molecular weight of 279.21 g/mol, XLogP of 6.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(4-chloro-2-methylphenyl)-1-propan-2-ylbenzene is sourced from PubChem (CID 131990321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).