2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene

C10H12Cl2O — CID 22754053

IUPAC2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
SMILESCOc1cc(C)c(CCl)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-6-4-9(13-3)10(12)7(2)8(6)5-11/h4H,5H2,1-3H3
InChIKeyRLZQHDKCLDWWAJ-UHFFFAOYSA-N
MW219.11 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene

2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene (PubChem CID 22754053) has the molecular formula C10H12Cl2O and a molecular weight of 219.11 g/mol. Its IUPAC name is 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene.

Molecular Properties

Compound Name2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
PubChem CID22754053
Molecular FormulaC10H12Cl2O
Molecular Weight219.11 g/mol
Exact Mass218.03
IUPAC Name2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene
SMILESCOc1cc(C)c(CCl)c(C)c1Cl
InChIInChI=1S/C10H12Cl2O/c1-6-4-9(13-3)10(12)7(2)8(6)5-11/h4H,5H2,1-3H3
InChIKeyRLZQHDKCLDWWAJ-UHFFFAOYSA-N
XLogP3.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.11
LogP ≤ 53.70
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

3-chloro-4-(chloromethyl)-1-methoxy-2,5-dimethylbenzene;triphenylphosphane
CID 88737504
2-chloro-3-(chloromethyl)-1-methoxy-4-methylbenzene
CID 171008417
3-(3-chloro-4-methoxy-2,6-dimethylphenyl)-3-methylbutanoic acid
CID 117430031
1-chloro-5-(chloromethyl)-4-methoxy-2-methylbenzene
CID 82470034
1-chloro-5-(chloromethyl)-2-methoxy-4-methylbenzene
CID 82470035
2-amino-1-(3-chloro-4-methoxy-2,6-dimethylphenyl)ethanol
CID 84693134
2-chloro-1-(3-chloro-6-methoxy-2,4-dimethylphenyl)ethanamine
CID 116937561
4-(chloromethyl)-3-methoxy-5-methylbenzonitrile
CID 171021005
2-ethyl-1-methoxy-3,4,5-trimethylbenzene
CID 118500678
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)-2-(methylamino)ethanone
CID 84702868
4-(3-chloro-6-methoxy-2,4-dimethylphenyl)-2-methylbutan-2-ol
CID 82482793
1-(3-chloro-4-methoxy-2,6-dimethylphenyl)cyclopropan-1-amine
CID 84790598

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene?
The IUPAC name of 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene (CID 22754053) is 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene.
What is the SMILES notation for 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene?
The canonical SMILES for 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene is COc1cc(C)c(CCl)c(C)c1Cl.
What is the InChIKey of 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene?
The InChIKey is RLZQHDKCLDWWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2O/c1-6-4-9(13-3)10(12)7(2)8(6)5-11/h4H,5H2,1-3H3.
What are the key properties of 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene?
2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene has a molecular weight of 219.11 g/mol, XLogP of 3.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(chloromethyl)-1-methoxy-3,5-dimethylbenzene is sourced from PubChem (CID 22754053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).