prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate

C19H18ClFO4 — CID 91682236

IUPACprop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
SMILESC=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1
InChIInChI=1S/C19H18ClFO4/c1-3-8-24-19(22)14-10-16(20)18(17(11-14)23-4-2)25-12-13-6-5-7-15(21)9-13/h3,5-7,9-11H,1,4,8,12H2,2H3
InChIKeyKMKSRLJKSCIMKX-UHFFFAOYSA-N
MW364.80 g/mol
LogP4.80
Rot. Bonds8

About prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate

prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate (PubChem CID 91682236) has the molecular formula C19H18ClFO4 and a molecular weight of 364.80 g/mol. Its IUPAC name is prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
PubChem CID91682236
Molecular FormulaC19H18ClFO4
Molecular Weight364.80 g/mol
Exact Mass364.09
IUPAC Nameprop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
SMILESC=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1
InChIInChI=1S/C19H18ClFO4/c1-3-8-24-19(22)14-10-16(20)18(17(11-14)23-4-2)25-12-13-6-5-7-15(21)9-13/h3,5-7,9-11H,1,4,8,12H2,2H3
InChIKeyKMKSRLJKSCIMKX-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]-5-ethoxybenzoate
CID 91682255
methyl 3,5-dichloro-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682725
[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]-piperidin-1-ylmethanethione
CID 4042855
prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate
CID 91680031
N'-[(Z)-[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-N-methyloxamide
CID 8930005
3-chloro-5-ethoxy-4-[(4-fluorophenyl)methoxy]benzoyl chloride
CID 91682346
prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate
CID 91682098
4-[(3-bromophenyl)methoxy]-3-chloro-5-ethoxybenzoic acid
CID 91683362
3-chloro-5-ethoxy-4-phenylmethoxybenzoyl chloride
CID 91682357
prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
CID 91683346
5-[[3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
CID 1340694
N-[(E)-[3,5-dichloro-4-[(3-fluorophenyl)methoxy]phenyl]methylideneamino]-3,4-diethoxybenzamide
CID 126315930

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate?
The IUPAC name of prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate (CID 91682236) is prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate.
What is the SMILES notation for prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate?
The canonical SMILES for prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate is C=CCOC(=O)c1cc(Cl)c(OCc2cccc(F)c2)c(OCC)c1.
What is the InChIKey of prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate?
The InChIKey is KMKSRLJKSCIMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClFO4/c1-3-8-24-19(22)14-10-16(20)18(17(11-14)23-4-2)25-12-13-6-5-7-15(21)9-13/h3,5-7,9-11H,1,4,8,12H2,2H3.
What are the key properties of prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate?
prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate 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 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate is sourced from PubChem (CID 91682236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).