1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene

C11H12Cl2 — CID 66035565

IUPAC1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
SMILESClCC1(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H12Cl2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h1-4H,5-8H2
InChIKeyHQFINWOLKSEKTN-UHFFFAOYSA-N
MW215.12 g/mol
LogP3.90
Rot. Bonds3

About 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene

1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene (PubChem CID 66035565) has the molecular formula C11H12Cl2 and a molecular weight of 215.12 g/mol. Its IUPAC name is 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene.

Molecular Properties

Compound Name1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
PubChem CID66035565
Molecular FormulaC11H12Cl2
Molecular Weight215.12 g/mol
Exact Mass214.03
IUPAC Name1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene
SMILESClCC1(Cc2ccccc2Cl)CC1
InChIInChI=1S/C11H12Cl2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h1-4H,5-8H2
InChIKeyHQFINWOLKSEKTN-UHFFFAOYSA-N
XLogP3.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.12
LogP ≤ 53.90
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-[(2-chlorophenyl)methyl]cyclopropyl]methanol
CID 66024776
1-[1-[(2-chlorophenyl)methyl]cyclopropyl]-N-methylmethanamine
CID 66024865
1-[(2-chlorophenyl)methyl]cyclopropan-1-amine
CID 23106132
1-[(2-chlorophenyl)methyl]cycloheptan-1-ol
CID 60797945
[3-[(2-chlorophenyl)methyl]pyrrolidin-3-yl]methanol
CID 66059643
4-(chloromethyl)-4-[(2-chlorophenyl)methyl]-2,3-dihydro-1H-naphthalene
CID 66036109
N-[[1-[(2-chlorophenyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 62723797
N-[[4-[(2-chlorophenyl)methyl]oxan-4-yl]methyl]ethanamine
CID 62904848
8-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decan-8-ol
CID 59186648
1,2-dichloro-4-[[1-(chloromethyl)cyclopropyl]methyl]benzene
CID 66033323
1-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-2-chlorobenzene
CID 66048707
[4-tert-butyl-1-[(2-chlorophenyl)methyl]cyclohexyl]methanamine
CID 63521434

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The IUPAC name of 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene (CID 66035565) is 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene.
What is the SMILES notation for 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The canonical SMILES for 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene is ClCC1(Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
The InChIKey is HQFINWOLKSEKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2/c12-8-11(5-6-11)7-9-3-1-2-4-10(9)13/h1-4H,5-8H2.
What are the key properties of 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene?
1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene has a molecular weight of 215.12 g/mol, XLogP of 3.90, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]benzene is sourced from PubChem (CID 66035565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).