1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene

C15H14Cl2O — CID 114846945

IUPAC1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2ccc(Cl)cc2CCl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyIOTCPZYMRZIHAD-UHFFFAOYSA-N
MW281.18 g/mol
LogP5.49
Rot. Bonds3

About 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene

1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene (PubChem CID 114846945) has the molecular formula C15H14Cl2O and a molecular weight of 281.18 g/mol. Its IUPAC name is 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
PubChem CID114846945
Molecular FormulaC15H14Cl2O
Molecular Weight281.18 g/mol
Exact Mass280.04
IUPAC Name1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
SMILESCc1cccc(Oc2ccc(Cl)cc2CCl)c1C
InChIInChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3
InChIKeyIOTCPZYMRZIHAD-UHFFFAOYSA-N
XLogP5.49
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500281.18
LogP ≤ 55.49
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-[5-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846944
1-[2-(bromomethyl)-4-chlorophenoxy]-2,3-dimethylbenzene
CID 107086782
N-[[5-chloro-2-(2,3-dimethylphenoxy)phenyl]methyl]propan-1-amine
CID 114855397
1-(bromomethyl)-4-chloro-2-(2,3-dimethylphenoxy)benzene
CID 107086769
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
CID 114846903
4-chloro-2-(2,3-dimethylphenoxy)benzonitrile
CID 63511378
4-(chloromethyl)-3-(2,3-dimethylphenoxy)pyridine
CID 105067641
8-[4-chloro-2-(chloromethyl)phenoxy]quinoline
CID 114847000
4-chloro-2-(2,3-dimethylphenoxy)benzenecarbothioamide
CID 63518061
2-[3-chloro-4-(2,3-dimethylphenoxy)phenyl]ethanamine
CID 81166256
4-chloro-2-(chloromethyl)-1-(3-propan-2-ylphenoxy)benzene
CID 114846940

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The IUPAC name of 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene (CID 114846945) is 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene.
What is the SMILES notation for 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The canonical SMILES for 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene is Cc1cccc(Oc2ccc(Cl)cc2CCl)c1C.
What is the InChIKey of 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
The InChIKey is IOTCPZYMRZIHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O/c1-10-4-3-5-14(11(10)2)18-15-7-6-13(17)8-12(15)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene?
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene has a molecular weight of 281.18 g/mol, XLogP of 5.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene is sourced from PubChem (CID 114846945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).