1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene

C15H15ClO2 — CID 112594445

IUPAC1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1cccc(CCl)c1
InChIInChI=1S/C15H15ClO2/c1-11-6-7-14(15(8-11)17-2)18-13-5-3-4-12(9-13)10-16/h3-9H,10H2,1-2H3
InChIKeyLGLMJIPAHSEFEW-UHFFFAOYSA-N
MW262.74 g/mol
LogP4.53
Rot. Bonds4

About 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene

1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene (PubChem CID 112594445) has the molecular formula C15H15ClO2 and a molecular weight of 262.74 g/mol. Its IUPAC name is 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene.

Molecular Properties

Compound Name1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
PubChem CID112594445
Molecular FormulaC15H15ClO2
Molecular Weight262.74 g/mol
Exact Mass262.08
IUPAC Name1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene
SMILESCOc1cc(C)ccc1Oc1cccc(CCl)c1
InChIInChI=1S/C15H15ClO2/c1-11-6-7-14(15(8-11)17-2)18-13-5-3-4-12(9-13)10-16/h3-9H,10H2,1-2H3
InChIKeyLGLMJIPAHSEFEW-UHFFFAOYSA-N
XLogP4.53
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 54.53
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

4-(chloromethyl)-2-[3-(chloromethyl)phenoxy]-1-methoxybenzene
CID 139463113
1-(chloromethyl)-3-(3-methoxyphenoxy)benzene
CID 19421777
1-(chloromethyl)-3-(2-methylphenoxy)benzene
CID 112594476
5-(chloromethyl)-1,3-difluoro-2-(2-methoxy-4-methylphenoxy)benzene
CID 63075510
1-[3-(chloromethyl)phenyl]-N-[(2-methoxy-5-methylphenyl)methyl]methanamine
CID 65024708
2-[3-[4-(cyanomethyl)-2-methoxyphenoxy]phenyl]acetonitrile
CID 139463123
2-bromo-4-(chloromethyl)-1-[3-(methoxymethyl)phenoxy]benzene
CID 114062642
1,2-dimethoxy-4-[2-[3-[2-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870898
1,2-dimethoxy-4-[2-[4-methoxy-3-[3-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870751
[2-[3-(methoxymethyl)phenoxy]-5-methylphenyl]methanamine
CID 107926521
1-(3-chloropropoxy)-2-methoxy-4-methylbenzene
CID 23036323
[3-(2-methoxyphenoxy)phenyl]methanol
CID 69315022

Frequently Asked Questions

What is the IUPAC name of 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The IUPAC name of 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene (CID 112594445) is 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene.
What is the SMILES notation for 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The canonical SMILES for 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene is COc1cc(C)ccc1Oc1cccc(CCl)c1.
What is the InChIKey of 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
The InChIKey is LGLMJIPAHSEFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2/c1-11-6-7-14(15(8-11)17-2)18-13-5-3-4-12(9-13)10-16/h3-9H,10H2,1-2H3.
What are the key properties of 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene?
1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene has a molecular weight of 262.74 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(chloromethyl)phenoxy]-2-methoxy-4-methylbenzene is sourced from PubChem (CID 112594445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).