2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride

C15H12ClFO2 — CID 19755755

IUPAC2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
SMILESCc1cc(F)ccc1OCc1ccccc1C(=O)Cl
InChIInChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-14(10)19-9-11-4-2-3-5-13(11)15(16)18/h2-8H,9H2,1H3
InChIKeyIDWIJALDPKZWCE-UHFFFAOYSA-N
MW278.71 g/mol
LogP4.09
Rot. Bonds4

About 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride

2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride (PubChem CID 19755755) has the molecular formula C15H12ClFO2 and a molecular weight of 278.71 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride.

Molecular Properties

Compound Name2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
PubChem CID19755755
Molecular FormulaC15H12ClFO2
Molecular Weight278.71 g/mol
Exact Mass278.05
IUPAC Name2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride
SMILESCc1cc(F)ccc1OCc1ccccc1C(=O)Cl
InChIInChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-14(10)19-9-11-4-2-3-5-13(11)15(16)18/h2-8H,9H2,1H3
InChIKeyIDWIJALDPKZWCE-UHFFFAOYSA-N
XLogP4.09
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-ethylphenoxy)methyl]benzoyl chloride
CID 19755754
5-fluoro-2-[(2-methylphenyl)methoxy]benzoic acid
CID 113281422
2-[(2,4-dimethylphenoxy)methyl]benzohydrazide
CID 63576319
5-chloro-2-[(2-methylphenyl)methoxy]benzoyl chloride
CID 46779753
2-[(2-bromo-4-fluorophenoxy)methyl]benzamide
CID 24710640
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
methyl 2-[(2-methylphenoxy)methyl]benzoate
CID 11043352
1-[2-[(2,4,5-trimethylphenoxy)methyl]phenyl]ethanone
CID 118967399
methyl 2-hydroxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
CID 85386374
[5-fluoro-2-[(2-methylphenyl)methoxy]phenyl]methanol
CID 107698567
(2Z)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetyl chloride
CID 15300766
2-fluoro-1-[(4-fluoro-2-methylphenoxy)methyl]-3-nitrobenzene
CID 107348758

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride?
The IUPAC name of 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride (CID 19755755) is 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride.
What is the SMILES notation for 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride?
The canonical SMILES for 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride is Cc1cc(F)ccc1OCc1ccccc1C(=O)Cl.
What is the InChIKey of 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride?
The InChIKey is IDWIJALDPKZWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO2/c1-10-8-12(17)6-7-14(10)19-9-11-4-2-3-5-13(11)15(16)18/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride?
2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride has a molecular weight of 278.71 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methylphenoxy)methyl]benzoyl chloride is sourced from PubChem (CID 19755755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).