1-(3-chlorophenyl)-2,4-diethylbenzene

C16H17Cl — CID 91574528

IUPAC1-(3-chlorophenyl)-2,4-diethylbenzene
SMILESCCc1ccc(-c2cccc(Cl)c2)c(CC)c1
InChIInChI=1S/C16H17Cl/c1-3-12-8-9-16(13(4-2)10-12)14-6-5-7-15(17)11-14/h5-11H,3-4H2,1-2H3
InChIKeyKXWFRIHMDUYXMI-UHFFFAOYSA-N
MW244.76 g/mol
LogP5.13
Rot. Bonds3

About 1-(3-chlorophenyl)-2,4-diethylbenzene

1-(3-chlorophenyl)-2,4-diethylbenzene (PubChem CID 91574528) has the molecular formula C16H17Cl and a molecular weight of 244.76 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-2,4-diethylbenzene.

Molecular Properties

Compound Name1-(3-chlorophenyl)-2,4-diethylbenzene
PubChem CID91574528
Molecular FormulaC16H17Cl
Molecular Weight244.76 g/mol
Exact Mass244.10
IUPAC Name1-(3-chlorophenyl)-2,4-diethylbenzene
SMILESCCc1ccc(-c2cccc(Cl)c2)c(CC)c1
InChIInChI=1S/C16H17Cl/c1-3-12-8-9-16(13(4-2)10-12)14-6-5-7-15(17)11-14/h5-11H,3-4H2,1-2H3
InChIKeyKXWFRIHMDUYXMI-UHFFFAOYSA-N
XLogP5.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.76
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(3-chlorophenyl)-4-ethyl-1-methylbenzene
CID 90994184
2,4-diethyl-1-(4-ethylphenyl)benzene
CID 102240206
1,4-diethyl-2-(3-ethylphenyl)benzene
CID 102240202
3-ethyl-6-(3-ethylphenyl)benzene-1,2-diol
CID 101302583
4-chloro-1-(3-ethylphenyl)-2-methoxybenzene
CID 122487988
2-ethyl-1-phenyl-4-propylbenzene
CID 123533420
2-ethyl-1,4-bis(4-ethylphenyl)benzene
CID 157074789
N-[[4-(3-chlorophenyl)-3-fluorophenyl]methyl]ethanamine
CID 81447435
2,4-diethyl-1-(2-methylphenyl)benzene
CID 142070386
2,4-diethyl-1-fluorobenzene;ethane
CID 143588111
2-[3-(3-chlorophenyl)-4-fluorophenyl]ethanamine
CID 115046585
1-(3-chlorophenyl)-2-(4-ethylphenyl)ethanone
CID 63411862

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-2,4-diethylbenzene?
The IUPAC name of 1-(3-chlorophenyl)-2,4-diethylbenzene (CID 91574528) is 1-(3-chlorophenyl)-2,4-diethylbenzene.
What is the SMILES notation for 1-(3-chlorophenyl)-2,4-diethylbenzene?
The canonical SMILES for 1-(3-chlorophenyl)-2,4-diethylbenzene is CCc1ccc(-c2cccc(Cl)c2)c(CC)c1.
What is the InChIKey of 1-(3-chlorophenyl)-2,4-diethylbenzene?
The InChIKey is KXWFRIHMDUYXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c1-3-12-8-9-16(13(4-2)10-12)14-6-5-7-15(17)11-14/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-(3-chlorophenyl)-2,4-diethylbenzene?
1-(3-chlorophenyl)-2,4-diethylbenzene has a molecular weight of 244.76 g/mol, XLogP of 5.13, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-2,4-diethylbenzene is sourced from PubChem (CID 91574528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).