1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene

C14H12ClFO — CID 106530587

IUPAC1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(F)cc(CCl)c2)cc1
InChIInChI=1S/C14H12ClFO/c1-10-2-4-13(5-3-10)17-14-7-11(9-15)6-12(16)8-14/h2-8H,9H2,1H3
InChIKeyPHQYSIXBDFVAHY-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.67
Rot. Bonds3

About 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene

1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene (PubChem CID 106530587) has the molecular formula C14H12ClFO and a molecular weight of 250.70 g/mol. Its IUPAC name is 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
PubChem CID106530587
Molecular FormulaC14H12ClFO
Molecular Weight250.70 g/mol
Exact Mass250.06
IUPAC Name1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
SMILESCc1ccc(Oc2cc(F)cc(CCl)c2)cc1
InChIInChI=1S/C14H12ClFO/c1-10-2-4-13(5-3-10)17-14-7-11(9-15)6-12(16)8-14/h2-8H,9H2,1H3
InChIKeyPHQYSIXBDFVAHY-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

1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
1-(4-ethylphenoxy)-3-fluoro-5-methylbenzene
CID 170963415
1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
CID 106864606
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
[3-fluoro-5-[4-(2-methoxyethyl)phenoxy]phenyl]methanol
CID 106530155
[3-(4-butylphenoxy)-5-fluorophenyl]methanol
CID 106530226
4-[3-(chloromethyl)-5-fluorophenoxy]-3-methoxybenzonitrile
CID 106530597
4-[3-(chloromethyl)-5-fluorophenoxy]-3-fluorobenzonitrile
CID 107666281
1-methyl-4-(4-methylphenoxy)benzene;dihydrofluoride
CID 174481204
N-[[3-(4-ethylphenoxy)-5-fluorophenyl]methyl]ethanamine
CID 106533297

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene?
The IUPAC name of 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene (CID 106530587) is 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene.
What is the SMILES notation for 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene?
The canonical SMILES for 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene is Cc1ccc(Oc2cc(F)cc(CCl)c2)cc1.
What is the InChIKey of 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene?
The InChIKey is PHQYSIXBDFVAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFO/c1-10-2-4-13(5-3-10)17-14-7-11(9-15)6-12(16)8-14/h2-8H,9H2,1H3.
What are the key properties of 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene?
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene 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 1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene is sourced from PubChem (CID 106530587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).