methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate

C15H18O6 — CID 25012454

IUPACmethyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate
SMILESCCC(=O)Oc1c(OC)cc(/C=C/C(=O)OC)cc1OC
InChIInChI=1S/C15H18O6/c1-5-13(16)21-15-11(18-2)8-10(9-12(15)19-3)6-7-14(17)20-4/h6-9H,5H2,1-4H3/b7-6+
InChIKeySNTNWVGNIVWGRS-VOTSOKGWSA-N
MW294.30 g/mol
LogP2.21
Rot. Bonds6

About methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate

methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate (PubChem CID 25012454) has the molecular formula C15H18O6 and a molecular weight of 294.30 g/mol. Its IUPAC name is methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate
PubChem CID25012454
Molecular FormulaC15H18O6
Molecular Weight294.30 g/mol
Exact Mass294.11
IUPAC Namemethyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate
SMILESCCC(=O)Oc1c(OC)cc(/C=C/C(=O)OC)cc1OC
InChIInChI=1S/C15H18O6/c1-5-13(16)21-15-11(18-2)8-10(9-12(15)19-3)6-7-14(17)20-4/h6-9H,5H2,1-4H3/b7-6+
InChIKeySNTNWVGNIVWGRS-VOTSOKGWSA-N
XLogP2.21
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 72738902
methyl (E)-3-[3,5-bis[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl]prop-2-enoate
CID 11823692
methyl 3-[3-iodo-5-methoxy-4-(methoxymethoxy)phenyl]prop-2-enoate
CID 6709744
methyl (E)-3-[4-(2-aminoethoxy)-3-methoxy-5-methylphenyl]prop-2-enoate
CID 58170806
[4-[(E)-3,5-dioxohex-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 134156123
(E)-3-[4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid
CID 174575354
methyl (E)-3-[3-(tert-butylsulfamoyl)-4,5-dimethoxyphenyl]prop-2-enoate
CID 47081369
(E)-1-(3,4,5-trimethoxyphenyl)hex-1-en-3-one
CID 14723786
[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
CID 46834834
[4-[3-(diethylamino)-3-oxoprop-1-enyl]-2,6-dimethoxyphenyl] acetate
CID 123248209
methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 16764845
methyl (E)-3-[3,4-dimethoxy-5-(3-methylbutylsulfamoyl)phenyl]prop-2-enoate
CID 47081370

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate?
The IUPAC name of methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate (CID 25012454) is methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate?
The canonical SMILES for methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate is CCC(=O)Oc1c(OC)cc(/C=C/C(=O)OC)cc1OC.
What is the InChIKey of methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate?
The InChIKey is SNTNWVGNIVWGRS-VOTSOKGWSA-N. The full InChI is InChI=1S/C15H18O6/c1-5-13(16)21-15-11(18-2)8-10(9-12(15)19-3)6-7-14(17)20-4/h6-9H,5H2,1-4H3/b7-6+.
What are the key properties of methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate?
methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate has a molecular weight of 294.30 g/mol, XLogP of 2.21, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-(3,5-dimethoxy-4-propanoyloxyphenyl)prop-2-enoate is sourced from PubChem (CID 25012454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).