methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate

C15H12ClFO3 — CID 164895372

IUPACmethyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(F)c1OCc1ccccc1
InChIInChI=1S/C15H12ClFO3/c1-19-15(18)12-7-11(16)8-13(17)14(12)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFAGCLLBZGPIZNM-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.84
Rot. Bonds4

About methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate

methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate (PubChem CID 164895372) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate.

Molecular Properties

Compound Namemethyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
PubChem CID164895372
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Namemethyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(F)c1OCc1ccccc1
InChIInChI=1S/C15H12ClFO3/c1-19-15(18)12-7-11(16)8-13(17)14(12)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
InChIKeyFAGCLLBZGPIZNM-UHFFFAOYSA-N
XLogP3.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 5-chloro-3-fluoro-2-methoxybenzoate
CID 170068005
dimethyl 4-[3,6-bis(methoxycarbonyl)-2-phenylmethoxynaphthalen-1-yl]-3-phenylmethoxynaphthalene-2,7-dicarboxylate
CID 20755865
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
methyl 5-chloro-2-(2-phenylmethoxyacetyl)benzoate
CID 146010495
methyl 2-(3,5-dichloro-4-phenylmethoxyanilino)benzoate
CID 59509768
methyl 5-chloro-3-phenylmethoxy-1H-indole-2-carboxylate
CID 142664195
methyl 5-fluoro-4-phenylmethoxy-1H-indole-2-carboxylate
CID 66927086
4-methoxycarbonyl-2-methyl-3-phenylmethoxybenzoic acid
CID 90164151
methyl 5-ethenyl-3-hydroxy-2-phenylmethoxybenzoate
CID 118992954
2,3,5-trifluoro-4-phenylmethoxybenzoic acid
CID 163233773
methyl 2,6-difluoro-3-methoxy-4,5-bis(phenylmethoxy)benzoate
CID 166479578
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate?
The IUPAC name of methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate (CID 164895372) is methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate.
What is the SMILES notation for methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate?
The canonical SMILES for methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate is COC(=O)c1cc(Cl)cc(F)c1OCc1ccccc1.
What is the InChIKey of methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate?
The InChIKey is FAGCLLBZGPIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-15(18)12-7-11(16)8-13(17)14(12)20-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3.
What are the key properties of methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate?
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate has a molecular weight of 294.71 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate is sourced from PubChem (CID 164895372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).