[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate

C20H20O5 — CID 46834834

IUPAC[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
SMILESCOc1cc(/C=C/CO)cc(OC)c1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20O5/c1-23-17-13-16(9-6-12-21)14-18(24-2)20(17)25-19(22)11-10-15-7-4-3-5-8-15/h3-11,13-14,21H,12H2,1-2H3/b9-6+,11-10+
InChIKeyJCYOWNRHTAWRSF-GOKBKIRCSA-N
MW340.38 g/mol
LogP3.33
Rot. Bonds7

About [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate

[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate (PubChem CID 46834834) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
PubChem CID46834834
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate
SMILESCOc1cc(/C=C/CO)cc(OC)c1OC(=O)/C=C/c1ccccc1
InChIInChI=1S/C20H20O5/c1-23-17-13-16(9-6-12-21)14-18(24-2)20(17)25-19(22)11-10-15-7-4-3-5-8-15/h3-11,13-14,21H,12H2,1-2H3/b9-6+,11-10+
InChIKeyJCYOWNRHTAWRSF-GOKBKIRCSA-N
XLogP3.33
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.33
H-Bond Donors ≤ 51
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

(3,4,5-trimethoxyphenyl) 3-phenylprop-2-enoate
CID 71323634
(E)-3-[4-[(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoyl]oxy-3,5-dimethoxyphenyl]prop-2-enoic acid
CID 174575354
[2-chloro-4-[(E)-hydroxyiminomethyl]-6-methoxyphenyl] (E)-3-phenylprop-2-enoate
CID 174233950
[2-methoxy-4-[(E)-3-methoxy-3-oxoprop-1-enyl]phenyl] (E)-3-phenylprop-2-enoate
CID 36828005
[3-methoxy-4-(3-phenylprop-2-enoyloxy)phenyl] 3-phenylprop-2-enoate
CID 123758297
(2-cyanophenyl) (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 7934976
[2-(trifluoromethyl)phenyl] 3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 76855200
(2-chloro-4-cyano-6-methoxyphenyl) (E)-3-phenylprop-2-enoate
CID 8802191
5-[(E)-3-hydroxyprop-1-enyl]-2,3-dimethoxyphenol
CID 14830746
(2,3,4,5,6-pentafluorophenyl) 3-phenylprop-2-enoate
CID 72966102
(2,3,4,5,6-pentafluorophenyl) (E)-3-phenylprop-2-enoate
CID 11449832
[2-methoxy-4-[(E)-2-phenylethenyl]phenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 19171057

Frequently Asked Questions

What is the IUPAC name of [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate (CID 46834834) is [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate is COc1cc(/C=C/CO)cc(OC)c1OC(=O)/C=C/c1ccccc1.
What is the InChIKey of [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is JCYOWNRHTAWRSF-GOKBKIRCSA-N. The full InChI is InChI=1S/C20H20O5/c1-23-17-13-16(9-6-12-21)14-18(24-2)20(17)25-19(22)11-10-15-7-4-3-5-8-15/h3-11,13-14,21H,12H2,1-2H3/b9-6+,11-10+.
What are the key properties of [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate?
[4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 340.38 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(E)-3-hydroxyprop-1-enyl]-2,6-dimethoxyphenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 46834834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).