prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate

C19H18ClFO4 — CID 91682098

IUPACprop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate
SMILESC=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1
InChIInChI=1S/C19H18ClFO4/c1-3-9-24-19(22)13-6-8-17(18(10-13)23-4-2)25-12-14-5-7-15(21)11-16(14)20/h3,5-8,10-11H,1,4,9,12H2,2H3
InChIKeyFSSUXPDODCHRGG-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.80
Rot. Bonds8

About prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate

prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate (PubChem CID 91682098) has the molecular formula C19H18ClFO4 and a molecular weight of 364.80 g/mol. Its IUPAC name is prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate
PubChem CID91682098
Molecular FormulaC19H18ClFO4
Molecular Weight364.80 g/mol
Exact Mass364.09
IUPAC Nameprop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate
SMILESC=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1
InChIInChI=1S/C19H18ClFO4/c1-3-9-24-19(22)13-6-8-17(18(10-13)23-4-2)25-12-14-5-7-15(21)11-16(14)20/h3,5-8,10-11H,1,4,9,12H2,2H3
InChIKeyFSSUXPDODCHRGG-UHFFFAOYSA-N
XLogP4.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.80
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

prop-2-enyl 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoate
CID 91681936
prop-2-enyl 3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoate
CID 91682255
prop-2-enyl 3-bromo-4-ethoxybenzoate
CID 54793268
4-[(2-chloro-4-fluorophenyl)methoxy]-3-methoxybenzohydrazide
CID 91681857
prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
CID 91683346
prop-2-enyl 3-chloro-4-[(2-methylphenyl)methoxy]benzoate
CID 91681906
1-[4-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorophenyl]ethanone
CID 115610625
prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682236
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]-5-ethoxybenzoic acid
CID 91682258
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
prop-2-ynyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxy-5-iodobenzoate
CID 91682338
1-[2-[(2-chloro-4-fluorophenyl)methoxy]-4-fluorophenyl]ethanol
CID 63068032

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate?
The IUPAC name of prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate (CID 91682098) is prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate.
What is the SMILES notation for prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate?
The canonical SMILES for prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate is C=CCOC(=O)c1ccc(OCc2ccc(F)cc2Cl)c(OCC)c1.
What is the InChIKey of prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate?
The InChIKey is FSSUXPDODCHRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFO4/c1-3-9-24-19(22)13-6-8-17(18(10-13)23-4-2)25-12-14-5-7-15(21)11-16(14)20/h3,5-8,10-11H,1,4,9,12H2,2H3.
What are the key properties of prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate?
prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate has a molecular weight of 364.80 g/mol, XLogP of 4.80, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate is sourced from PubChem (CID 91682098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).