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

C19H19BrO4 — CID 91683346

IUPACprop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
SMILESC=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1
InChIInChI=1S/C19H19BrO4/c1-3-10-23-19(21)15-8-9-17(18(12-15)22-4-2)24-13-14-6-5-7-16(20)11-14/h3,5-9,11-12H,1,4,10,13H2,2H3
InChIKeySVPDOUUTKIPWSA-UHFFFAOYSA-N
MW391.26 g/mol
LogP4.77
Rot. Bonds8

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

prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate (PubChem CID 91683346) has the molecular formula C19H19BrO4 and a molecular weight of 391.26 g/mol. Its IUPAC name is prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
PubChem CID91683346
Molecular FormulaC19H19BrO4
Molecular Weight391.26 g/mol
Exact Mass390.05
IUPAC Nameprop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
SMILESC=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1
InChIInChI=1S/C19H19BrO4/c1-3-10-23-19(21)15-8-9-17(18(12-15)22-4-2)24-13-14-6-5-7-16(20)11-14/h3,5-9,11-12H,1,4,10,13H2,2H3
InChIKeySVPDOUUTKIPWSA-UHFFFAOYSA-N
XLogP4.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.26
LogP ≤ 54.77
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-bromo-4-ethoxybenzoate
CID 54793268
prop-2-enyl 4-[(2-chloro-4-fluorophenyl)methoxy]-3-ethoxybenzoate
CID 91682098
prop-2-enyl 3-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682612
ethyl 3,4-diethoxybenzoate
CID 586407
prop-2-enyl 3-chloro-5-ethoxy-4-[(3-fluorophenyl)methoxy]benzoate
CID 91682236
1-[4-[(3-bromophenyl)methoxy]-3-ethoxyphenyl]-N-methylmethanamine
CID 60882964
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
ethyl 3-bromo-4-phenylmethoxybenzoate
CID 54793242
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate
CID 167216465
4-[(3-bromophenyl)methoxy]-3-chlorobenzamide
CID 91683338
3-ethoxy-4-[(3-fluorophenyl)methoxy]benzoic acid
CID 6462606
ethyl 4-amino-2-[(3-bromophenyl)methoxy]benzoate
CID 106955208

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate?
The IUPAC name of prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate (CID 91683346) is prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate.
What is the SMILES notation for prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate?
The canonical SMILES for prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate is C=CCOC(=O)c1ccc(OCc2cccc(Br)c2)c(OCC)c1.
What is the InChIKey of prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate?
The InChIKey is SVPDOUUTKIPWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO4/c1-3-10-23-19(21)15-8-9-17(18(12-15)22-4-2)24-13-14-6-5-7-16(20)11-14/h3,5-9,11-12H,1,4,10,13H2,2H3.
What are the key properties of prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate?
prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate has a molecular weight of 391.26 g/mol, XLogP of 4.77, 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-[(3-bromophenyl)methoxy]-3-ethoxybenzoate is sourced from PubChem (CID 91683346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).