1-chloro-2,4-dicyclopropylbenzene

C12H13Cl — CID 68785250

IUPAC1-chloro-2,4-dicyclopropylbenzene
SMILESClc1ccc(C2CC2)cc1C1CC1
InChIInChI=1S/C12H13Cl/c13-12-6-5-10(8-1-2-8)7-11(12)9-3-4-9/h5-9H,1-4H2
InChIKeyBCDLIQDAPCLMRN-UHFFFAOYSA-N
MW192.69 g/mol
LogP4.09
Rot. Bonds2

About 1-chloro-2,4-dicyclopropylbenzene

1-chloro-2,4-dicyclopropylbenzene (PubChem CID 68785250) has the molecular formula C12H13Cl and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-chloro-2,4-dicyclopropylbenzene.

Molecular Properties

Compound Name1-chloro-2,4-dicyclopropylbenzene
PubChem CID68785250
Molecular FormulaC12H13Cl
Molecular Weight192.69 g/mol
Exact Mass192.07
IUPAC Name1-chloro-2,4-dicyclopropylbenzene
SMILESClc1ccc(C2CC2)cc1C1CC1
InChIInChI=1S/C12H13Cl/c13-12-6-5-10(8-1-2-8)7-11(12)9-3-4-9/h5-9H,1-4H2
InChIKeyBCDLIQDAPCLMRN-UHFFFAOYSA-N
XLogP4.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2,4-dicyclopropylbenzene?
The IUPAC name of 1-chloro-2,4-dicyclopropylbenzene (CID 68785250) is 1-chloro-2,4-dicyclopropylbenzene.
What is the SMILES notation for 1-chloro-2,4-dicyclopropylbenzene?
The canonical SMILES for 1-chloro-2,4-dicyclopropylbenzene is Clc1ccc(C2CC2)cc1C1CC1.
What is the InChIKey of 1-chloro-2,4-dicyclopropylbenzene?
The InChIKey is BCDLIQDAPCLMRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl/c13-12-6-5-10(8-1-2-8)7-11(12)9-3-4-9/h5-9H,1-4H2.
What are the key properties of 1-chloro-2,4-dicyclopropylbenzene?
1-chloro-2,4-dicyclopropylbenzene has a molecular weight of 192.69 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2,4-dicyclopropylbenzene is sourced from PubChem (CID 68785250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).