(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate

C20H21O4- — CID 19421596

IUPAC(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate
SMILESCCCOc1ccc(/C(=C/C(=O)[O-])c2cccc(C)c2)cc1OC
InChIInChI=1S/C20H22O4/c1-4-10-24-18-9-8-16(12-19(18)23-3)17(13-20(21)22)15-7-5-6-14(2)11-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/p-1/b17-13+
InChIKeyQIOHDJZTLCGSIQ-GHRIWEEISA-M
MW325.38 g/mol
LogP2.97
Rot. Bonds7

About (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate

(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate (PubChem CID 19421596) has the molecular formula C20H21O4- and a molecular weight of 325.38 g/mol. Its IUPAC name is (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate.

Molecular Properties

Compound Name(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate
PubChem CID19421596
Molecular FormulaC20H21O4-
Molecular Weight325.38 g/mol
Exact Mass325.14
IUPAC Name(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate
SMILESCCCOc1ccc(/C(=C/C(=O)[O-])c2cccc(C)c2)cc1OC
InChIInChI=1S/C20H22O4/c1-4-10-24-18-9-8-16(12-19(18)23-3)17(13-20(21)22)15-7-5-6-14(2)11-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/p-1/b17-13+
InChIKeyQIOHDJZTLCGSIQ-GHRIWEEISA-M
XLogP2.97
TPSA58.59 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate?
The IUPAC name of (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate (CID 19421596) is (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate.
What is the SMILES notation for (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate?
The canonical SMILES for (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate is CCCOc1ccc(/C(=C/C(=O)[O-])c2cccc(C)c2)cc1OC.
What is the InChIKey of (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate?
The InChIKey is QIOHDJZTLCGSIQ-GHRIWEEISA-M. The full InChI is InChI=1S/C20H22O4/c1-4-10-24-18-9-8-16(12-19(18)23-3)17(13-20(21)22)15-7-5-6-14(2)11-15/h5-9,11-13H,4,10H2,1-3H3,(H,21,22)/p-1/b17-13+.
What are the key properties of (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate?
(E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate has a molecular weight of 325.38 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-methoxy-4-propoxyphenyl)-3-(3-methylphenyl)prop-2-enoate is sourced from PubChem (CID 19421596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).