5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol

C17H20O3 — CID 146262352

IUPAC5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol
SMILESC=CCOC1=CC=C(/C=C/C2=CC(O)=CC(O)C2)CC1
InChIInChI=1S/C17H20O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h2-5,7,10,12,16,18-19H,1,6,8-9,11H2/b4-3+
InChIKeyOEKUDRHIQPKXIE-ONEGZZNKSA-N
MW272.34 g/mol
LogP3.48
Rot. Bonds5

About 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol

5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol (PubChem CID 146262352) has the molecular formula C17H20O3 and a molecular weight of 272.34 g/mol. Its IUPAC name is 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol.

Molecular Properties

Compound Name5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol
PubChem CID146262352
Molecular FormulaC17H20O3
Molecular Weight272.34 g/mol
Exact Mass272.14
IUPAC Name5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol
SMILESC=CCOC1=CC=C(/C=C/C2=CC(O)=CC(O)C2)CC1
InChIInChI=1S/C17H20O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h2-5,7,10,12,16,18-19H,1,6,8-9,11H2/b4-3+
InChIKeyOEKUDRHIQPKXIE-ONEGZZNKSA-N
XLogP3.48
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol?
The IUPAC name of 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol (CID 146262352) is 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol.
What is the SMILES notation for 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol?
The canonical SMILES for 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol is C=CCOC1=CC=C(/C=C/C2=CC(O)=CC(O)C2)CC1.
What is the InChIKey of 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol?
The InChIKey is OEKUDRHIQPKXIE-ONEGZZNKSA-N. The full InChI is InChI=1S/C17H20O3/c1-2-9-20-17-7-5-13(6-8-17)3-4-14-10-15(18)12-16(19)11-14/h2-5,7,10,12,16,18-19H,1,6,8-9,11H2/b4-3+.
What are the key properties of 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol?
5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol has a molecular weight of 272.34 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(4-prop-2-enoxycyclohexa-1,3-dien-1-yl)ethenyl]cyclohexa-1,5-diene-1,3-diol is sourced from PubChem (CID 146262352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).