1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene

C15H14Cl2O2 — CID 114846903

IUPAC1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)cc1CCl
InChIInChI=1S/C15H14Cl2O2/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(17)8-11(13)9-16/h3-8H,9H2,1-2H3
InChIKeyPDQWYFXPBDYQNU-UHFFFAOYSA-N
MW297.18 g/mol
LogP5.19
Rot. Bonds4

About 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene

1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene (PubChem CID 114846903) has the molecular formula C15H14Cl2O2 and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
PubChem CID114846903
Molecular FormulaC15H14Cl2O2
Molecular Weight297.18 g/mol
Exact Mass296.04
IUPAC Name1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1ccc(Cl)cc1CCl
InChIInChI=1S/C15H14Cl2O2/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(17)8-11(13)9-16/h3-8H,9H2,1-2H3
InChIKeyPDQWYFXPBDYQNU-UHFFFAOYSA-N
XLogP5.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.18
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-4-(2-methoxy-4-methylphenoxy)pyridine
CID 81234048
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
[5-chloro-2-(2-methoxyphenoxy)phenyl]methanol
CID 114846046
1-[4-chloro-2-(chloromethyl)phenoxy]-2,3-dimethylbenzene
CID 114846945
1-[2-(chloromethyl)-4-methylphenoxy]-2,4-difluorobenzene
CID 114054766
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
3-[4-chloro-2-(chloromethyl)phenoxy]-2-methylpyridine
CID 114847144
1-bromo-2,5-dichloro-4-[2-(chloromethyl)-4-methylphenoxy]benzene
CID 114054842
2-[2-chloro-6-(2-methoxy-4-methylphenoxy)phenyl]ethanamine
CID 63815220
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
N-[[2-(2-methoxy-4-methylphenoxy)phenyl]methyl]cyclopropanamine
CID 43282262
4-chloro-2-[(5-chloro-2-methoxyphenyl)methyl]-1-methoxybenzene
CID 626547

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene (CID 114846903) is 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1Oc1ccc(Cl)cc1CCl.
What is the InChIKey of 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The InChIKey is PDQWYFXPBDYQNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2O2/c1-10-3-5-14(15(7-10)18-2)19-13-6-4-12(17)8-11(13)9-16/h3-8H,9H2,1-2H3.
What are the key properties of 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene has a molecular weight of 297.18 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-2-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 114846903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).