1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene

C12H15ClO — CID 126974003

IUPAC1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
SMILESCc1ccc(OC2(CCl)CC2)c(C)c1
InChIInChI=1S/C12H15ClO/c1-9-3-4-11(10(2)7-9)14-12(8-13)5-6-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLDNHHCXPUZFXFZ-UHFFFAOYSA-N
MW210.70 g/mol
LogP3.45
Rot. Bonds3

About 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene

1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene (PubChem CID 126974003) has the molecular formula C12H15ClO and a molecular weight of 210.70 g/mol. Its IUPAC name is 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene.

Molecular Properties

Compound Name1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
PubChem CID126974003
Molecular FormulaC12H15ClO
Molecular Weight210.70 g/mol
Exact Mass210.08
IUPAC Name1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
SMILESCc1ccc(OC2(CCl)CC2)c(C)c1
InChIInChI=1S/C12H15ClO/c1-9-3-4-11(10(2)7-9)14-12(8-13)5-6-12/h3-4,7H,5-6,8H2,1-2H3
InChIKeyLDNHHCXPUZFXFZ-UHFFFAOYSA-N
XLogP3.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.70
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene
CID 126974009
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433
2-[1-(chloromethyl)cyclopropyl]oxy-4-fluoro-1-methylbenzene
CID 126974023
2-[1-(2,4-dimethylphenoxy)cyclobutyl]-N-ethylethanamine
CID 103273499
N-[2-[1-(2,4-dimethylphenoxy)cyclobutyl]ethyl]-2-methylpropan-1-amine
CID 103273497
2-bromo-1-[1-(bromomethyl)cyclopropyl]oxy-4-methylbenzene
CID 126974013
[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methanol
CID 130480899
1-methoxy-2,4-dimethyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 169444379
1-methoxy-2,4-dimethylbenzene;propane
CID 54037455
2-[1-(2-chloro-4-methylphenoxy)cyclobutyl]acetic acid
CID 103272730
N-[[1-(2-fluoro-5-methylphenoxy)cyclopropyl]methyl]-2-methylpropan-2-amine
CID 114199554
1-(fluoromethoxy)-2,4-dimethylbenzene
CID 58637499

Frequently Asked Questions

What is the IUPAC name of 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene?
The IUPAC name of 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene (CID 126974003) is 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene.
What is the SMILES notation for 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene?
The canonical SMILES for 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene is Cc1ccc(OC2(CCl)CC2)c(C)c1.
What is the InChIKey of 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene?
The InChIKey is LDNHHCXPUZFXFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO/c1-9-3-4-11(10(2)7-9)14-12(8-13)5-6-12/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene?
1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene has a molecular weight of 210.70 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene is sourced from PubChem (CID 126974003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).