1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene

C16H17Cl — CID 129016588

IUPAC1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
SMILESCCc1ccc(-c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C16H17Cl/c1-4-13-6-7-14(10-16(13)17)15-8-5-11(2)9-12(15)3/h5-10H,4H2,1-3H3
InChIKeyHJKGCWPVAURDPS-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.19
Rot. Bonds2

About 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene

1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene (PubChem CID 129016588) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
PubChem CID129016588
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene
SMILESCCc1ccc(-c2ccc(C)cc2C)cc1Cl
InChIInChI=1S/C16H17Cl/c1-4-13-6-7-14(10-16(13)17)15-8-5-11(2)9-12(15)3/h5-10H,4H2,1-3H3
InChIKeyHJKGCWPVAURDPS-UHFFFAOYSA-N
XLogP5.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-chloro-1-ethyl-4-methylbenzene;ethane
CID 143541856
1-ethyl-2,4-dimethylbenzene;propane
CID 143347602
2-(3,4-diethylphenyl)-1,3,5-trimethylbenzene
CID 91665788
3-[2-[4-(3-chloro-4-methylphenyl)-3-methylphenyl]-5-methylphenyl]propanoic acid
CID 118198119
1-[2-chloro-4-(2,4-dimethylphenyl)phenyl]-N-methylethanamine
CID 82782672
4-(4-chloro-2-methylphenyl)-2-ethylaniline
CID 172652422
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
N,N-bis[4-(4-tert-butyl-2-ethylphenyl)phenyl]-4-(2,4-dimethylphenyl)aniline
CID 123417724
2-chloro-4-(4-chloro-2-methylphenyl)-1-methylbenzene
CID 70919846
4-(2,4-dimethylphenyl)-2-methylphenol
CID 53218818
2-(3,4-diethylphenyl)-5-methylbenzoic acid
CID 115482487
2-chloro-1-ethyl-4-(4-methylsulfanylphenyl)benzene
CID 143541778

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene?
The IUPAC name of 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene (CID 129016588) is 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene.
What is the SMILES notation for 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene?
The canonical SMILES for 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene is CCc1ccc(-c2ccc(C)cc2C)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene?
The InChIKey is HJKGCWPVAURDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-4-13-6-7-14(10-16(13)17)15-8-5-11(2)9-12(15)3/h5-10H,4H2,1-3H3.
What are the key properties of 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene?
1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 5.19, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethylphenyl)-2,4-dimethylbenzene is sourced from PubChem (CID 129016588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).