(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate

C20H22O5 — CID 732910

IUPAC(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H22O5/c1-4-23-18-12-6-15(14-19(18)24-5-2)7-13-20(21)25-17-10-8-16(22-3)9-11-17/h6-14H,4-5H2,1-3H3
InChIKeyGAPQNNBCRHLGOZ-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.11
Rot. Bonds8

About (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate

(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate (PubChem CID 732910) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
PubChem CID732910
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc(OC)cc2)cc1OCC
InChIInChI=1S/C20H22O5/c1-4-23-18-12-6-15(14-19(18)24-5-2)7-13-20(21)25-17-10-8-16(22-3)9-11-17/h6-14H,4-5H2,1-3H3
InChIKeyGAPQNNBCRHLGOZ-UHFFFAOYSA-N
XLogP4.11
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732918
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184908
[3-(4-methoxyphenoxy)-4-oxochromen-7-yl] 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 2792994
(4-methoxyphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 18280499
(3,5-dimethylphenyl) (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 2071669
(4-nitrophenyl) (E)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enoate
CID 2071705
(4-methoxyphenyl) (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 774853
[2-(4-methoxyanilino)-2-oxoethyl] (E)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enoate
CID 7654147
(E)-1-(2,5-dimethoxyphenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-en-1-one
CID 7515329
(4-butoxyphenyl) 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 91554965
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(4-tert-butylphenyl) (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19173379

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate (CID 732910) is (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate is CCOc1ccc(C=CC(=O)Oc2ccc(OC)cc2)cc1OCC.
What is the InChIKey of (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The InChIKey is GAPQNNBCRHLGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-4-23-18-12-6-15(14-19(18)24-5-2)7-13-20(21)25-17-10-8-16(22-3)9-11-17/h6-14H,4-5H2,1-3H3.
What are the key properties of (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate has a molecular weight of 342.39 g/mol, XLogP of 4.11, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 732910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).