(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate

C20H14ClFO3 — CID 7859032

IUPAC(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
SMILESO=C(OCc1ccccc1Oc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C20H14ClFO3/c21-16-10-6-11-17(22)19(16)20(23)24-13-14-7-4-5-12-18(14)25-15-8-2-1-3-9-15/h1-12H,13H2
InChIKeyKSKJUZPKYUYXNN-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.63
Rot. Bonds5

About (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate

(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate (PubChem CID 7859032) has the molecular formula C20H14ClFO3 and a molecular weight of 356.78 g/mol. Its IUPAC name is (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
PubChem CID7859032
Molecular FormulaC20H14ClFO3
Molecular Weight356.78 g/mol
Exact Mass356.06
IUPAC Name(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate
SMILESO=C(OCc1ccccc1Oc1ccccc1)c1c(F)cccc1Cl
InChIInChI=1S/C20H14ClFO3/c21-16-10-6-11-17(22)19(16)20(23)24-13-14-7-4-5-12-18(14)25-15-8-2-1-3-9-15/h1-12H,13H2
InChIKeyKSKJUZPKYUYXNN-UHFFFAOYSA-N
XLogP5.63
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-phenoxyphenyl)methyl 2-hydroxybenzoate
CID 7890581
2-fluoro-6-phenoxybenzoyl chloride
CID 156864797
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-chloro-6-fluorobenzoate
CID 9414877
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 9007363
propyl 2-chloro-6-fluorobenzoate
CID 43389524
[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl 2-chloro-6-fluorobenzoate
CID 9414870
2-[(2-chlorophenyl)methoxy]-1-(2,6-difluorophenyl)ethanone
CID 62030412
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
[2-(dibenzylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 7820802
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 2-chloro-6-fluorobenzoate
CID 16588695
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
[2-(dimethylamino)-2-oxoethyl] 2-chloro-6-fluorobenzoate
CID 17426420

Frequently Asked Questions

What is the IUPAC name of (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate?
The IUPAC name of (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate (CID 7859032) is (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate.
What is the SMILES notation for (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate?
The canonical SMILES for (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate is O=C(OCc1ccccc1Oc1ccccc1)c1c(F)cccc1Cl.
What is the InChIKey of (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate?
The InChIKey is KSKJUZPKYUYXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFO3/c21-16-10-6-11-17(22)19(16)20(23)24-13-14-7-4-5-12-18(14)25-15-8-2-1-3-9-15/h1-12H,13H2.
What are the key properties of (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate?
(2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate has a molecular weight of 356.78 g/mol, XLogP of 5.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenoxyphenyl)methyl 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7859032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).