1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene

C16H17Cl — CID 91338289

IUPAC1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3
InChIKeyLOSZILNXEOBREA-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.24
Rot. Bonds1

About 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene

1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene (PubChem CID 91338289) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene.

Molecular Properties

Compound Name1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
PubChem CID91338289
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene
SMILESCc1cc(Cl)ccc1-c1ccc(C)c(C)c1C
InChIInChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3
InChIKeyLOSZILNXEOBREA-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The IUPAC name of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene (CID 91338289) is 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene.
What is the SMILES notation for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The canonical SMILES for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene is Cc1cc(Cl)ccc1-c1ccc(C)c(C)c1C.
What is the InChIKey of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
The InChIKey is LOSZILNXEOBREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-10-5-7-16(13(4)12(10)3)15-8-6-14(17)9-11(15)2/h5-9H,1-4H3.
What are the key properties of 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene?
1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 5.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-2-methylphenyl)-2,3,4-trimethylbenzene is sourced from PubChem (CID 91338289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).