prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate

C15H18O5 — CID 53231025

IUPACprop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
SMILESC=CCOC(=O)c1cc(OC)c(OCC=C)c(OC)c1
InChIInChI=1S/C15H18O5/c1-5-7-19-14-12(17-3)9-11(10-13(14)18-4)15(16)20-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyTVEZCTRFKWYOPI-UHFFFAOYSA-N
MW278.30 g/mol
LogP2.61
Rot. Bonds8

About prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate

prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate (PubChem CID 53231025) has the molecular formula C15H18O5 and a molecular weight of 278.30 g/mol. Its IUPAC name is prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
PubChem CID53231025
Molecular FormulaC15H18O5
Molecular Weight278.30 g/mol
Exact Mass278.12
IUPAC Nameprop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate
SMILESC=CCOC(=O)c1cc(OC)c(OCC=C)c(OC)c1
InChIInChI=1S/C15H18O5/c1-5-7-19-14-12(17-3)9-11(10-13(14)18-4)15(16)20-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3
InChIKeyTVEZCTRFKWYOPI-UHFFFAOYSA-N
XLogP2.61
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-5-methoxy-4-prop-2-enoxybenzamide
CID 27186888
3-methoxy-4-prop-2-enoxy-5-prop-2-enylbenzoic acid
CID 68685212
[2-oxo-2-(prop-2-enylamino)ethyl] 3,4,5-trimethoxybenzoate
CID 2572044
prop-2-enyl 2-amino-4,5-dimethoxybenzoate
CID 19432548
iodomethyl 3,4,5-trimethoxybenzoate
CID 19866330
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 18123440
N-[(3,5-dimethoxy-4-prop-2-enoxyphenyl)methyl]ethanamine
CID 60888312
prop-2-enyl 4-(3-aminopropanoylamino)-3-methoxybenzoate
CID 82350189
cyanomethyl 3,4,5-trimethoxybenzoate
CID 2681800
prop-2-enyl 3-chloro-5-ethoxy-4-(4-methoxybenzoyl)oxybenzoate
CID 91680031
4,6,11,13,18,20,25,27-octamethoxy-5,12,19,26-tetrakis(prop-2-enoxy)pentacyclo[22.4.0.03,8.010,15.017,22]octacosa-1(28),3,5,7,10,12,14,17,19,21,24,26-dodecaene
CID 71734980
4-prop-2-enoxybutyl 3,4-dimethoxybenzoate
CID 174261054

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate?
The IUPAC name of prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate (CID 53231025) is prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate.
What is the SMILES notation for prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate?
The canonical SMILES for prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate is C=CCOC(=O)c1cc(OC)c(OCC=C)c(OC)c1.
What is the InChIKey of prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate?
The InChIKey is TVEZCTRFKWYOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O5/c1-5-7-19-14-12(17-3)9-11(10-13(14)18-4)15(16)20-8-6-2/h5-6,9-10H,1-2,7-8H2,3-4H3.
What are the key properties of prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate?
prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate has a molecular weight of 278.30 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3,5-dimethoxy-4-prop-2-enoxybenzoate is sourced from PubChem (CID 53231025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).