(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

C20H22O4 — CID 19184864

IUPAC(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCCCc1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22O4/c1-4-5-15-6-10-17(11-7-15)24-20(21)13-9-16-8-12-18(22-2)19(14-16)23-3/h6-14H,4-5H2,1-3H3/b13-9+
InChIKeyGOEHJQGCQXQDQW-UKTHLTGXSA-N
MW326.39 g/mol
LogP4.28
Rot. Bonds7

About (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate

(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (PubChem CID 19184864) has the molecular formula C20H22O4 and a molecular weight of 326.39 g/mol. Its IUPAC name is (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.

Molecular Properties

Compound Name(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
PubChem CID19184864
Molecular FormulaC20H22O4
Molecular Weight326.39 g/mol
Exact Mass326.15
IUPAC Name(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
SMILESCCCc1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1
InChIInChI=1S/C20H22O4/c1-4-5-15-6-10-17(11-7-15)24-20(21)13-9-16-8-12-18(22-2)19(14-16)23-3/h6-14H,4-5H2,1-3H3/b13-9+
InChIKeyGOEHJQGCQXQDQW-UKTHLTGXSA-N
XLogP4.28
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 ≤ 54.28
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-propylphenyl) (E)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enoate
CID 19207775
(4-methoxyphenyl) (E)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 19184908
(4-butoxyphenyl) 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
CID 91554965
(4-tert-butylphenyl) (E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoate
CID 19173379
[4-(2-hydroxyethyl)phenyl] (E)-3-(4-acetyloxy-3,5-dimethoxyphenyl)prop-2-enoate
CID 90287732
[2-methoxy-4-[(E)-prop-1-enyl]phenyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 152820667
(4-methoxyphenyl) 3-(3,4-diethoxyphenyl)prop-2-enoate
CID 732910
[4-(2,2-dicyanoethenyl)phenyl] (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 19211686
2-phenylethyl (Z)-3-(3,4-dimethoxyphenyl)prop-2-enoate
CID 92531543
(4-methoxyphenyl) (E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]prop-2-enoate
CID 18280499
[3-methoxy-4-[2-(4-methoxyphenyl)ethoxy]phenyl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
CID 176849426
[4-[3-(4-acetamidophenoxy)-3-oxoprop-1-enyl]-2-methoxyphenyl] pentanoate
CID 90989358

Frequently Asked Questions

What is the IUPAC name of (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The IUPAC name of (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate (CID 19184864) is (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.
What is the SMILES notation for (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The canonical SMILES for (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is CCCc1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1.
What is the InChIKey of (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
The InChIKey is GOEHJQGCQXQDQW-UKTHLTGXSA-N. The full InChI is InChI=1S/C20H22O4/c1-4-5-15-6-10-17(11-7-15)24-20(21)13-9-16-8-12-18(22-2)19(14-16)23-3/h6-14H,4-5H2,1-3H3/b13-9+.
What are the key properties of (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate?
(4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate has a molecular weight of 326.39 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylphenyl) (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate is sourced from PubChem (CID 19184864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).