4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene

C11H12Cl2O — CID 103065950

IUPAC4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene
SMILESC=C(CCl)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H12Cl2O/c1-8(6-12)7-14-11-4-3-10(13)5-9(11)2/h3-5H,1,6-7H2,2H3
InChIKeyAOPGYKBCNHROCI-UHFFFAOYSA-N
MW231.12 g/mol
LogP3.82
Rot. Bonds4

About 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene

4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene (PubChem CID 103065950) has the molecular formula C11H12Cl2O and a molecular weight of 231.12 g/mol. Its IUPAC name is 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene.

Molecular Properties

Compound Name4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene
PubChem CID103065950
Molecular FormulaC11H12Cl2O
Molecular Weight231.12 g/mol
Exact Mass230.03
IUPAC Name4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene
SMILESC=C(CCl)COc1ccc(Cl)cc1C
InChIInChI=1S/C11H12Cl2O/c1-8(6-12)7-14-11-4-3-10(13)5-9(11)2/h3-5H,1,6-7H2,2H3
InChIKeyAOPGYKBCNHROCI-UHFFFAOYSA-N
XLogP3.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[5-chloro-2-[2-(chloromethyl)prop-2-enoxy]phenyl]ethanone
CID 103066099
1-(4-chloro-2-methylphenoxy)-3-methylbutan-2-one
CID 79396132
ethyl 2-(4-chloro-2-methylphenoxy)acetate
CID 17603
4-chloro-1-(4-chlorobutoxy)-2-methylbenzene
CID 12928638
acetyl 2-(4-chloro-2-methylphenoxy)acetate
CID 175377307
2-(4-chloro-2-methylphenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 60625071
2-(4-chloro-2-methylphenoxy)-N-[2-(methylamino)ethyl]acetamide
CID 119499872
2-(4-chloro-2-methylphenoxy)-1-cyclopropylethanone
CID 63906456
1,4-dichloro-2-[2-[(2,5-dichlorophenoxy)methyl]prop-2-enoxy]benzene
CID 154157151
2-(4-chloro-2-methylphenoxy)-N-(2-methoxyethyl)acetamide
CID 2276597
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-(4-chlorophenoxy)acetohydrazide
CID 5186778
2,4-dichloro-1-[2-[(4-methoxy-3-methylphenyl)sulfanylmethyl]prop-2-enoxy]benzene
CID 70657643

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene?
The IUPAC name of 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene (CID 103065950) is 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene.
What is the SMILES notation for 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene?
The canonical SMILES for 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene is C=C(CCl)COc1ccc(Cl)cc1C.
What is the InChIKey of 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene?
The InChIKey is AOPGYKBCNHROCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O/c1-8(6-12)7-14-11-4-3-10(13)5-9(11)2/h3-5H,1,6-7H2,2H3.
What are the key properties of 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene?
4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene has a molecular weight of 231.12 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(chloromethyl)prop-2-enoxy]-2-methylbenzene is sourced from PubChem (CID 103065950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).