1-chloro-3-(3-chloropropyl)-5-ethylbenzene

C11H14Cl2 — CID 170836776

IUPAC1-chloro-3-(3-chloropropyl)-5-ethylbenzene
SMILESCCc1cc(Cl)cc(CCCCl)c1
InChIInChI=1S/C11H14Cl2/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3
InChIKeyFVKRVEVSCFLUPJ-UHFFFAOYSA-N
MW217.14 g/mol
LogP4.07
Rot. Bonds4

About 1-chloro-3-(3-chloropropyl)-5-ethylbenzene

1-chloro-3-(3-chloropropyl)-5-ethylbenzene (PubChem CID 170836776) has the molecular formula C11H14Cl2 and a molecular weight of 217.14 g/mol. Its IUPAC name is 1-chloro-3-(3-chloropropyl)-5-ethylbenzene.

Molecular Properties

Compound Name1-chloro-3-(3-chloropropyl)-5-ethylbenzene
PubChem CID170836776
Molecular FormulaC11H14Cl2
Molecular Weight217.14 g/mol
Exact Mass216.05
IUPAC Name1-chloro-3-(3-chloropropyl)-5-ethylbenzene
SMILESCCc1cc(Cl)cc(CCCCl)c1
InChIInChI=1S/C11H14Cl2/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3
InChIKeyFVKRVEVSCFLUPJ-UHFFFAOYSA-N
XLogP4.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.14
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-chloropropyl)-3-ethyl-5-fluorobenzene
CID 118824600
1-bromo-3-chloro-5-(3-chloropropyl)benzene
CID 53403284
1-(3-chloropropyl)-3-ethyl-5-(trifluoromethylsulfanyl)benzene
CID 166640920
1,3,5-tris(4-chlorobutyl)benzene
CID 134887836
1-tert-butyl-3,5-bis(3-chloropropyl)benzene
CID 89314999
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
1-(3-chloro-5-ethylphenyl)-N-methylmethanamine
CID 84659368
1-(chloromethyl)-3-(3-chloropropyl)-5-methylbenzene
CID 131432314
1-chloro-3-[(4-ethylphenyl)methyl]-5-propylbenzene
CID 142052826
1-chloro-4-(3-chloropropyl)-2-ethylbenzene
CID 170836970
1-ethyl-3-heptyl-5-propylbenzene
CID 141210303
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-(3-chloropropyl)-5-ethylbenzene?
The IUPAC name of 1-chloro-3-(3-chloropropyl)-5-ethylbenzene (CID 170836776) is 1-chloro-3-(3-chloropropyl)-5-ethylbenzene.
What is the SMILES notation for 1-chloro-3-(3-chloropropyl)-5-ethylbenzene?
The canonical SMILES for 1-chloro-3-(3-chloropropyl)-5-ethylbenzene is CCc1cc(Cl)cc(CCCCl)c1.
What is the InChIKey of 1-chloro-3-(3-chloropropyl)-5-ethylbenzene?
The InChIKey is FVKRVEVSCFLUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2/c1-2-9-6-10(4-3-5-12)8-11(13)7-9/h6-8H,2-5H2,1H3.
What are the key properties of 1-chloro-3-(3-chloropropyl)-5-ethylbenzene?
1-chloro-3-(3-chloropropyl)-5-ethylbenzene has a molecular weight of 217.14 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-(3-chloropropyl)-5-ethylbenzene is sourced from PubChem (CID 170836776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).