2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride

C15H12ClFO3 — CID 46779695

IUPAC2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c1-19-13-4-2-3-12(15(16)18)14(13)20-9-10-5-7-11(17)8-6-10/h2-8H,9H2,1H3
InChIKeyPFIDLGHDOJMGRE-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.79
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride

2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride (PubChem CID 46779695) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
PubChem CID46779695
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride
SMILESCOc1cccc(C(=O)Cl)c1OCc1ccc(F)cc1
InChIInChI=1S/C15H12ClFO3/c1-19-13-4-2-3-12(15(16)18)14(13)20-9-10-5-7-11(17)8-6-10/h2-8H,9H2,1H3
InChIKeyPFIDLGHDOJMGRE-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-2-phenylmethoxybenzoyl chloride
CID 22736875
2-ethoxy-3-methoxybenzoyl chloride
CID 21314777
1-[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethanol
CID 83951061
2-[(3-bromo-4-fluorophenyl)methoxy]-3-methoxybenzoic acid
CID 61379650
methyl 5-[(2-carbamoyl-6-methoxyphenoxy)methyl]-2-fluorobenzoate
CID 58663013
1-fluoro-4-[(2-methoxyphenoxy)methyl]benzene
CID 957472
2-[(4-methylphenyl)methoxy]benzoyl chloride
CID 46779704
(4-fluorophenyl)methanamine;N-[(4-fluorophenyl)methyl]-2-methoxybenzamide;2-methoxybenzoyl chloride
CID 167534674
N-[[2-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-2-methylpropan-2-amine
CID 4721448
2-[(4-bromophenyl)methoxy]-1,3-dimethoxybenzene
CID 6457254
2-phenylmethoxybenzoyl chloride
CID 10999355
(2,3-dimethoxyphenyl)-(4-fluorophenyl)methanone
CID 105078663

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride (CID 46779695) is 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride is COc1cccc(C(=O)Cl)c1OCc1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride?
The InChIKey is PFIDLGHDOJMGRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-13-4-2-3-12(15(16)18)14(13)20-9-10-5-7-11(17)8-6-10/h2-8H,9H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride?
2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride has a molecular weight of 294.71 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-3-methoxybenzoyl chloride is sourced from PubChem (CID 46779695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).