4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene

C14H12ClFO — CID 63565705

IUPAC4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
SMILESCc1cc(CCl)ccc1Oc1ccccc1F
InChIInChI=1S/C14H12ClFO/c1-10-8-11(9-15)6-7-13(10)17-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3
InChIKeyAPWGGATYNCOMGH-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.67
Rot. Bonds3

About 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene

4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene (PubChem CID 63565705) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
PubChem CID63565705
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
SMILESCc1cc(CCl)ccc1Oc1ccccc1F
InChIInChI=1S/C14H12ClFO/c1-10-8-11(9-15)6-7-13(10)17-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3
InChIKeyAPWGGATYNCOMGH-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 54.67
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

4-(chloromethyl)-2-methyl-1-[2-(trifluoromethyl)phenoxy]benzene
CID 63567308
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
1-(chloromethyl)-4-(2-fluorophenoxy)benzene
CID 22293096
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
1-[4-(2,3-difluorophenoxy)-3-methylphenyl]-N-methylmethanamine
CID 63038179
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
2,4-dibromo-1-[4-(chloromethyl)-2-methylphenoxy]benzene
CID 64720664
4-(2-fluorophenoxy)-3-methylbenzonitrile
CID 54934331
2-[3-(2-fluorophenoxy)-4-methylphenyl]ethanamine
CID 105410974
1-(4-bromophenoxy)-4-(chloromethyl)-2-methylbenzene
CID 63565881
1-[4-(2-fluoro-3-methylphenoxy)-3-methylphenyl]-N-methylmethanamine
CID 107659646

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene?
The IUPAC name of 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene (CID 63565705) is 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene.
What is the SMILES notation for 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene?
The canonical SMILES for 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene is Cc1cc(CCl)ccc1Oc1ccccc1F.
What is the InChIKey of 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene?
The InChIKey is APWGGATYNCOMGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10-8-11(9-15)6-7-13(10)17-14-5-3-2-4-12(14)16/h2-8H,9H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene?
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene has a molecular weight of 250.70 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene is sourced from PubChem (CID 63565705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).