[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate

C19H22O5 — CID 134716372

IUPAC[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate
SMILESCOC1=C(O)C=CC(/C=C/COC(=O)/C=C/C2C=CC(O)=CC2)C1
InChIInChI=1S/C19H22O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-4,6-11,14-15,20-21H,5,12-13H2,1H3/b3-2+,11-7+
InChIKeyHISSADDOZWQPGZ-LFWRRJNUSA-N
MW330.38 g/mol
LogP3.65
Rot. Bonds6

About [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate

[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate (PubChem CID 134716372) has the molecular formula C19H22O5 and a molecular weight of 330.38 g/mol. Its IUPAC name is [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate.

Molecular Properties

Compound Name[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate
PubChem CID134716372
Molecular FormulaC19H22O5
Molecular Weight330.38 g/mol
Exact Mass330.15
IUPAC Name[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate
SMILESCOC1=C(O)C=CC(/C=C/COC(=O)/C=C/C2C=CC(O)=CC2)C1
InChIInChI=1S/C19H22O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-4,6-11,14-15,20-21H,5,12-13H2,1H3/b3-2+,11-7+
InChIKeyHISSADDOZWQPGZ-LFWRRJNUSA-N
XLogP3.65
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate?
The IUPAC name of [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate (CID 134716372) is [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate.
What is the SMILES notation for [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate?
The canonical SMILES for [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate is COC1=C(O)C=CC(/C=C/COC(=O)/C=C/C2C=CC(O)=CC2)C1.
What is the InChIKey of [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate?
The InChIKey is HISSADDOZWQPGZ-LFWRRJNUSA-N. The full InChI is InChI=1S/C19H22O5/c1-23-18-13-15(6-10-17(18)21)3-2-12-24-19(22)11-7-14-4-8-16(20)9-5-14/h2-4,6-11,14-15,20-21H,5,12-13H2,1H3/b3-2+,11-7+.
What are the key properties of [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate?
[(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate has a molecular weight of 330.38 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-(4-hydroxy-5-methoxycyclohexa-2,4-dien-1-yl)prop-2-enyl] (E)-3-(4-hydroxycyclohexa-2,4-dien-1-yl)prop-2-enoate is sourced from PubChem (CID 134716372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).