1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene

C26H27Cl — CID 129049604

IUPAC1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene
SMILESC=Cc1cc(CCc2cccc(-c3cccc(C)c3C)c2C)c(Cl)cc1C
InChIInChI=1S/C26H27Cl/c1-6-21-16-23(26(27)15-18(21)3)14-13-22-10-8-12-25(20(22)5)24-11-7-9-17(2)19(24)4/h6-12,15-16H,1,13-14H2,2-5H3
InChIKeyZGLMREUVJXSFPF-UHFFFAOYSA-N
MW374.96 g/mol
LogP7.67
Rot. Bonds5

About 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene

1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene (PubChem CID 129049604) has the molecular formula C26H27Cl and a molecular weight of 374.96 g/mol. Its IUPAC name is 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene.

Molecular Properties

Compound Name1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene
PubChem CID129049604
Molecular FormulaC26H27Cl
Molecular Weight374.96 g/mol
Exact Mass374.18
IUPAC Name1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene
SMILESC=Cc1cc(CCc2cccc(-c3cccc(C)c3C)c2C)c(Cl)cc1C
InChIInChI=1S/C26H27Cl/c1-6-21-16-23(26(27)15-18(21)3)14-13-22-10-8-12-25(20(22)5)24-11-7-9-17(2)19(24)4/h6-12,15-16H,1,13-14H2,2-5H3
InChIKeyZGLMREUVJXSFPF-UHFFFAOYSA-N
XLogP7.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.96
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene?
The IUPAC name of 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene (CID 129049604) is 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene.
What is the SMILES notation for 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene?
The canonical SMILES for 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene is C=Cc1cc(CCc2cccc(-c3cccc(C)c3C)c2C)c(Cl)cc1C.
What is the InChIKey of 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene?
The InChIKey is ZGLMREUVJXSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl/c1-6-21-16-23(26(27)15-18(21)3)14-13-22-10-8-12-25(20(22)5)24-11-7-9-17(2)19(24)4/h6-12,15-16H,1,13-14H2,2-5H3.
What are the key properties of 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene?
1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene has a molecular weight of 374.96 g/mol, XLogP of 7.67, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[2-[3-(2,3-dimethylphenyl)-2-methylphenyl]ethyl]-4-ethenyl-5-methylbenzene is sourced from PubChem (CID 129049604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).