ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate

C24H26O6 — CID 23242190

IUPACethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OC)c(-c2cc(/C=C/C(=O)OCC)ccc2OC)c1
InChIInChI=1S/C24H26O6/c1-5-29-23(25)13-9-17-7-11-21(27-3)19(15-17)20-16-18(8-12-22(20)28-4)10-14-24(26)30-6-2/h7-16H,5-6H2,1-4H3/b13-9+,14-10+
InChIKeyPZEVGBCSZHZMTI-UTLPMFLDSA-N
MW410.47 g/mol
LogP4.52
Rot. Bonds9

About ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate

ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate (PubChem CID 23242190) has the molecular formula C24H26O6 and a molecular weight of 410.47 g/mol. Its IUPAC name is ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate.

Molecular Properties

Compound Nameethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
PubChem CID23242190
Molecular FormulaC24H26O6
Molecular Weight410.47 g/mol
Exact Mass410.17
IUPAC Nameethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate
SMILESCCOC(=O)/C=C/c1ccc(OC)c(-c2cc(/C=C/C(=O)OCC)ccc2OC)c1
InChIInChI=1S/C24H26O6/c1-5-29-23(25)13-9-17-7-11-21(27-3)19(15-17)20-16-18(8-12-22(20)28-4)10-14-24(26)30-6-2/h7-16H,5-6H2,1-4H3/b13-9+,14-10+
InChIKeyPZEVGBCSZHZMTI-UTLPMFLDSA-N
XLogP4.52
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxybenzoic acid
CID 169480785
2-[4-(3-ethoxy-3-oxoprop-1-enyl)-2-methoxyphenyl]acetic acid
CID 169481023
ethyl (Z)-3-[3-methoxy-4-(2-methoxy-2-oxoethoxy)phenyl]prop-2-enoate
CID 92908749
ethyl 3-(1,3-dioxoisoindol-5-yl)prop-2-enoate
CID 169480926
ethyl 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 131846335
ethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate;naphthalene
CID 175420096
ethyl (E)-3-(3-methoxy-4-nitrophenyl)prop-2-enoate
CID 19974449
ethyl (Z)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 92840869
ethyl 3-(3,4-diaminophenyl)prop-2-enoate
CID 169480115
ethyl (E)-3-[3-(1-ethyl-4,4,6-trimethyl-2-oxo-3H-quinolin-7-yl)-4-methoxyphenyl]prop-2-enoate
CID 68666786
ethyl 3-(7-bromobiphenylen-2-yl)prop-2-enoate
CID 54346207
methyl 5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-[4-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxycarbonylphenyl]benzoate
CID 10528197

Frequently Asked Questions

What is the IUPAC name of ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate?
The IUPAC name of ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate (CID 23242190) is ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate.
What is the SMILES notation for ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate?
The canonical SMILES for ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate is CCOC(=O)/C=C/c1ccc(OC)c(-c2cc(/C=C/C(=O)OCC)ccc2OC)c1.
What is the InChIKey of ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate?
The InChIKey is PZEVGBCSZHZMTI-UTLPMFLDSA-N. The full InChI is InChI=1S/C24H26O6/c1-5-29-23(25)13-9-17-7-11-21(27-3)19(15-17)20-16-18(8-12-22(20)28-4)10-14-24(26)30-6-2/h7-16H,5-6H2,1-4H3/b13-9+,14-10+.
What are the key properties of ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate?
ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate has a molecular weight of 410.47 g/mol, XLogP of 4.52, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (E)-3-[3-[5-[(E)-3-ethoxy-3-oxoprop-1-enyl]-2-methoxyphenyl]-4-methoxyphenyl]prop-2-enoate is sourced from PubChem (CID 23242190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).