1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane

C14H21Cl — CID 164862229

IUPAC1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane
SMILESCC.CCC1(c2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C12H15Cl.C2H6/c1-3-12(6-7-12)10-4-5-11(13)9(2)8-10;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3
InChIKeyRGFOSPUJQLSWFW-UHFFFAOYSA-N
MW224.78 g/mol
LogP5.12
Rot. Bonds2

About 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane

1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane (PubChem CID 164862229) has the molecular formula C14H21Cl and a molecular weight of 224.78 g/mol. Its IUPAC name is 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane.

Molecular Properties

Compound Name1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane
PubChem CID164862229
Molecular FormulaC14H21Cl
Molecular Weight224.78 g/mol
Exact Mass224.13
IUPAC Name1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane
SMILESCC.CCC1(c2ccc(Cl)c(C)c2)CC1
InChIInChI=1S/C12H15Cl.C2H6/c1-3-12(6-7-12)10-4-5-11(13)9(2)8-10;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3
InChIKeyRGFOSPUJQLSWFW-UHFFFAOYSA-N
XLogP5.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.78
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane?
The IUPAC name of 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane (CID 164862229) is 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane.
What is the SMILES notation for 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane?
The canonical SMILES for 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane is CC.CCC1(c2ccc(Cl)c(C)c2)CC1.
What is the InChIKey of 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane?
The InChIKey is RGFOSPUJQLSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl.C2H6/c1-3-12(6-7-12)10-4-5-11(13)9(2)8-10;1-2/h4-5,8H,3,6-7H2,1-2H3;1-2H3.
What are the key properties of 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane?
1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane has a molecular weight of 224.78 g/mol, XLogP of 5.12, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(1-ethylcyclopropyl)-2-methylbenzene;ethane is sourced from PubChem (CID 164862229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).