4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene

C11H12Cl2O — CID 126974009

IUPAC4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene
SMILESCc1cc(Cl)ccc1OC1(CCl)CC1
InChIInChI=1S/C11H12Cl2O/c1-8-6-9(13)2-3-10(8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyWKNNCLURXIHGAW-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.80
Rot. Bonds3

About 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene

4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene (PubChem CID 126974009) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene
PubChem CID126974009
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene
SMILESCc1cc(Cl)ccc1OC1(CCl)CC1
InChIInChI=1S/C11H12Cl2O/c1-8-6-9(13)2-3-10(8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3
InChIKeyWKNNCLURXIHGAW-UHFFFAOYSA-N
XLogP3.80
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.80
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

1-[1-(chloromethyl)cyclopropyl]oxy-2,4-dimethylbenzene
CID 126974003
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
4-chloro-1-[(E)-4-chlorobut-2-enoxy]-2-methylbenzene
CID 13057211
4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene
CID 103065950
4-chloro-1-(cyclobutylmethoxy)-2-methylbenzene
CID 127017270
4-chloro-2-methyl-1-(2-methylphenoxy)benzene
CID 62706685
4-chloro-2-[[1-(chloromethyl)cyclopropyl]methyl]-1-methoxybenzene
CID 66034885
4-(4-chloro-2-methylphenoxy)butanoyl chloride
CID 2757686
4-chloro-2-methyl-1-(1-methylcyclopropyl)oxybenzene;methyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]acetate
CID 172606992
1-(1-bromo-2-methylpropan-2-yl)oxy-4-chloro-2-methylbenzene
CID 82093771
4-chloro-2-methyl-1-(trifluoromethoxy)benzene;ethane
CID 143548597
N-[[1-(2,4-dimethylphenoxy)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 114199433

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene?
The IUPAC name of 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene (CID 126974009) is 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene?
The canonical SMILES for 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene is Cc1cc(Cl)ccc1OC1(CCl)CC1.
What is the InChIKey of 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene?
The InChIKey is WKNNCLURXIHGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-8-6-9(13)2-3-10(8)14-11(7-12)4-5-11/h2-3,6H,4-5,7H2,1H3.
What are the key properties of 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene?
4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene has a molecular weight of 231.12 g/mol, XLogP of 3.80, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-(chloromethyl)cyclopropyl]oxy-2-methylbenzene is sourced from PubChem (CID 126974009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).