1-chloro-5-cyclopropyl-2,3-dimethylbenzene

C11H13Cl — CID 59813088

IUPAC1-chloro-5-cyclopropyl-2,3-dimethylbenzene
SMILESCc1cc(C2CC2)cc(Cl)c1C
InChIInChI=1S/C11H13Cl/c1-7-5-10(9-3-4-9)6-11(12)8(7)2/h5-6,9H,3-4H2,1-2H3
InChIKeyFMKVMTPYJUMPDU-UHFFFAOYSA-N
MW180.68 g/mol
LogP3.83
Rot. Bonds1

About 1-chloro-5-cyclopropyl-2,3-dimethylbenzene

1-chloro-5-cyclopropyl-2,3-dimethylbenzene (PubChem CID 59813088) has the molecular formula C11H13Cl and a molecular weight of 180.68 g/mol. Its IUPAC name is 1-chloro-5-cyclopropyl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-chloro-5-cyclopropyl-2,3-dimethylbenzene
PubChem CID59813088
Molecular FormulaC11H13Cl
Molecular Weight180.68 g/mol
Exact Mass180.07
IUPAC Name1-chloro-5-cyclopropyl-2,3-dimethylbenzene
SMILESCc1cc(C2CC2)cc(Cl)c1C
InChIInChI=1S/C11H13Cl/c1-7-5-10(9-3-4-9)6-11(12)8(7)2/h5-6,9H,3-4H2,1-2H3
InChIKeyFMKVMTPYJUMPDU-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.68
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-5-cyclopropyl-2,3-dimethylbenzene?
The IUPAC name of 1-chloro-5-cyclopropyl-2,3-dimethylbenzene (CID 59813088) is 1-chloro-5-cyclopropyl-2,3-dimethylbenzene.
What is the SMILES notation for 1-chloro-5-cyclopropyl-2,3-dimethylbenzene?
The canonical SMILES for 1-chloro-5-cyclopropyl-2,3-dimethylbenzene is Cc1cc(C2CC2)cc(Cl)c1C.
What is the InChIKey of 1-chloro-5-cyclopropyl-2,3-dimethylbenzene?
The InChIKey is FMKVMTPYJUMPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl/c1-7-5-10(9-3-4-9)6-11(12)8(7)2/h5-6,9H,3-4H2,1-2H3.
What are the key properties of 1-chloro-5-cyclopropyl-2,3-dimethylbenzene?
1-chloro-5-cyclopropyl-2,3-dimethylbenzene has a molecular weight of 180.68 g/mol, XLogP of 3.83, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-5-cyclopropyl-2,3-dimethylbenzene is sourced from PubChem (CID 59813088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).