4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene

C15H14ClFO — CID 107691185

IUPAC4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
SMILESCc1ccccc1COc1ccc(CCl)cc1F
InChIInChI=1S/C15H14ClFO/c1-11-4-2-3-5-13(11)10-18-15-7-6-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyHFPCTRLMLCXWQN-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.45
Rot. Bonds4

About 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene

4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene (PubChem CID 107691185) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
PubChem CID107691185
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
SMILESCc1ccccc1COc1ccc(CCl)cc1F
InChIInChI=1S/C15H14ClFO/c1-11-4-2-3-5-13(11)10-18-15-7-6-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3
InChIKeyHFPCTRLMLCXWQN-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.45
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-fluoro-2-[(2-methylphenyl)methoxy]benzene
CID 60627765
1,4-dichloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]benzene
CID 107691124
3-[[4-(chloromethyl)-2-fluorophenoxy]methyl]pyridine-2-carbonitrile
CID 107691144
4-(chloromethyl)-2-fluoro-1-[(3-fluorophenyl)methoxy]benzene
CID 107691116
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
4-(chloromethyl)-2-fluoro-1-[(3-methoxyphenyl)methoxy]benzene
CID 28946582
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
[3-fluoro-4-[(5-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690953
[3-fluoro-4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]methanol
CID 107690934
2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]quinoline
CID 107691442
2-[[4-(chloromethyl)-2-ethoxyphenoxy]methyl]-4-fluoro-1-methylbenzene
CID 105372168
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene (CID 107691185) is 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene is Cc1ccccc1COc1ccc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene?
The InChIKey is HFPCTRLMLCXWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-11-4-2-3-5-13(11)10-18-15-7-6-12(9-16)8-14(15)17/h2-8H,9-10H2,1H3.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene?
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene has a molecular weight of 264.73 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene is sourced from PubChem (CID 107691185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).