ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate

C16H14ClFO3 — CID 103037722

IUPACethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFO3/c1-2-20-16(19)12-4-6-13(7-5-12)21-10-11-3-8-15(18)14(17)9-11/h3-9H,2,10H2,1H3
InChIKeyHIBTVWRRJRINPE-UHFFFAOYSA-N
MW308.74 g/mol
LogP4.23
Rot. Bonds5

About ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate

ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate (PubChem CID 103037722) has the molecular formula C16H14ClFO3 and a molecular weight of 308.74 g/mol. Its IUPAC name is ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
PubChem CID103037722
Molecular FormulaC16H14ClFO3
Molecular Weight308.74 g/mol
Exact Mass308.06
IUPAC Nameethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate
SMILESCCOC(=O)c1ccc(OCc2ccc(F)c(Cl)c2)cc1
InChIInChI=1S/C16H14ClFO3/c1-2-20-16(19)12-4-6-13(7-5-12)21-10-11-3-8-15(18)14(17)9-11/h3-9H,2,10H2,1H3
InChIKeyHIBTVWRRJRINPE-UHFFFAOYSA-N
XLogP4.23
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(4-aminophenoxy)methyl]benzoate
CID 39109130
4-[(3-chloro-4-fluorophenyl)methoxy]benzenecarboximidamide
CID 103038182
ethyl 4-[11-(4-chlorophenoxy)undecoxy]benzoate
CID 21319306
(1S)-1-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanamine
CID 103037850
5-[(3-chloro-4-fluorophenyl)methoxy]-2-methylaniline
CID 114252440
2-[4-[(3-chloro-4-fluorophenyl)methoxy]phenyl]ethanimidamide
CID 103038181
ethyl 4-[(4-chlorophenyl)methyl]benzoate
CID 11414671
prop-2-ynyl 4-[(4-chlorophenyl)methoxy]benzoate
CID 13176547
ethyl 4-(4-phenylmethoxybenzoyl)benzoate
CID 58095622
ethyl 4-[(2,3-dichlorophenyl)methoxy]benzoate
CID 107305560
ethyl 3-[(4-chlorophenyl)methoxy]-4-methoxybenzoate
CID 91681694
butyl 3-chloro-4-fluorobenzoate
CID 79020284

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate?
The IUPAC name of ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate (CID 103037722) is ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate?
The canonical SMILES for ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate is CCOC(=O)c1ccc(OCc2ccc(F)c(Cl)c2)cc1.
What is the InChIKey of ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate?
The InChIKey is HIBTVWRRJRINPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO3/c1-2-20-16(19)12-4-6-13(7-5-12)21-10-11-3-8-15(18)14(17)9-11/h3-9H,2,10H2,1H3.
What are the key properties of ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate?
ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate has a molecular weight of 308.74 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3-chloro-4-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 103037722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).