methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate

C23H24O7 — CID 162516171

IUPACmethyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
SMILESC=CCc1ccc(OC(=O)COc2ccc(/C=C/C(=O)OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H24O7/c1-5-6-16-8-11-19(21(13-16)27-3)30-23(25)15-29-18-10-7-17(14-20(18)26-2)9-12-22(24)28-4/h5,7-14H,1,6,15H2,2-4H3/b12-9+
InChIKeySRSWXEPZJPPTLL-FMIVXFBMSA-N
MW412.44 g/mol
LogP3.60
Rot. Bonds10

About methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate

methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate (PubChem CID 162516171) has the molecular formula C23H24O7 and a molecular weight of 412.44 g/mol. Its IUPAC name is methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
PubChem CID162516171
Molecular FormulaC23H24O7
Molecular Weight412.44 g/mol
Exact Mass412.15
IUPAC Namemethyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
SMILESC=CCc1ccc(OC(=O)COc2ccc(/C=C/C(=O)OC)cc2OC)c(OC)c1
InChIInChI=1S/C23H24O7/c1-5-6-16-8-11-19(21(13-16)27-3)30-23(25)15-29-18-10-7-17(14-20(18)26-2)9-12-22(24)28-4/h5,7-14H,1,6,15H2,2-4H3/b12-9+
InChIKeySRSWXEPZJPPTLL-FMIVXFBMSA-N
XLogP3.60
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.44
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

propyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate
CID 162516151
(4-formyl-2-methoxyphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 174832447
methyl (E)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 16764845
(E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 162516150
(2-methoxy-4-prop-2-enylphenyl) 2-phenoxyacetate
CID 137496757
methyl 2-[2-(2-methoxy-2-oxoethoxy)-4-prop-2-enylphenoxy]acetate
CID 67377849
(2-methyl-5-propan-2-ylphenyl) 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 142294967
bis(2-methoxy-4-prop-2-enylphenyl) pentanedioate
CID 139030994
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
2-(2-methoxy-4-prop-2-enylphenoxy)acetohydrazide
CID 764178
methyl (E)-3-[3-methoxy-4-(2-naphthalen-2-ylacetyl)oxyphenyl]prop-2-enoate
CID 36832775
acetic acid;(2-methoxy-4-prop-2-enylphenyl) acetate
CID 159570421

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate (CID 162516171) is methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate is C=CCc1ccc(OC(=O)COc2ccc(/C=C/C(=O)OC)cc2OC)c(OC)c1.
What is the InChIKey of methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate?
The InChIKey is SRSWXEPZJPPTLL-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H24O7/c1-5-6-16-8-11-19(21(13-16)27-3)30-23(25)15-29-18-10-7-17(14-20(18)26-2)9-12-22(24)28-4/h5,7-14H,1,6,15H2,2-4H3/b12-9+.
What are the key properties of methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate?
methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate has a molecular weight of 412.44 g/mol, XLogP of 3.60, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-methoxy-4-[2-(2-methoxy-4-prop-2-enylphenoxy)-2-oxoethoxy]phenyl]prop-2-enoate is sourced from PubChem (CID 162516171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).