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

C20H22O4 — CID 732918

IUPAC(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C20H22O4/c1-4-22-18-12-8-16(14-19(18)23-5-2)9-13-20(21)24-17-10-6-15(3)7-11-17/h6-14H,4-5H2,1-3H3
InChIKeyPBJMLMNXIGKIMQ-UHFFFAOYSA-N
MW326.39 g/mol
LogP4.41
Rot. Bonds7

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

(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate (PubChem CID 732918) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
PubChem CID732918
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
SMILESCCOc1ccc(C=CC(=O)Oc2ccc(C)cc2)cc1OCC
InChIInChI=1S/C20H22O4/c1-4-22-18-12-8-16(14-19(18)23-5-2)9-13-20(21)24-17-10-6-15(3)7-11-17/h6-14H,4-5H2,1-3H3
InChIKeyPBJMLMNXIGKIMQ-UHFFFAOYSA-N
XLogP4.41
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.39
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
(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
(E)-1-(3,4-diethoxyphenyl)-3-(4-methylphenyl)prop-2-en-1-one
CID 6146865
ethane;[4-[3-(4-methylphenyl)prop-2-enoyloxy]phenyl] 3-(4-methylphenyl)prop-2-enoate
CID 123696763
3-(3,4-diethoxyphenyl)prop-2-enamide
CID 75266278
(4-methylphenyl) (E)-3-(2-ethoxyphenyl)prop-2-enoate
CID 19207618
[4-(4-methylphenyl)phenyl] (E)-3-[3-methoxy-4-(3-methylbutoxy)phenyl]prop-2-enoate
CID 19221671
ethyl 3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enoate
CID 54167741
3-(4-butoxy-3-ethoxyphenyl)prop-2-enoic acid
CID 3838298
(E)-3-(3-ethoxy-4-propan-2-yloxyphenyl)-1-(4-methylphenyl)prop-2-en-1-one
CID 82185610
(4-methylphenyl) (E)-3-(3-fluoro-4-methylphenyl)prop-2-enoate
CID 142377095

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate (CID 732918) is (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate is CCOc1ccc(C=CC(=O)Oc2ccc(C)cc2)cc1OCC.
What is the InChIKey of (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
The InChIKey is PBJMLMNXIGKIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-22-18-12-8-16(14-19(18)23-5-2)9-13-20(21)24-17-10-6-15(3)7-11-17/h6-14H,4-5H2,1-3H3.
What are the key properties of (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate?
(4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.41, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 732918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).