5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one

C14H12O3 — CID 163464524

IUPAC5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=C(/C=C/c2ccc(O)cc2)C=C(O)C1
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-8,15-16H,9H2/b2-1+
InChIKeyBRKBZVZQJVPBID-OWOJBTEDSA-N
MW228.25 g/mol
LogP2.75
Rot. Bonds2

About 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one

5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one (PubChem CID 163464524) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one
PubChem CID163464524
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one
SMILESO=C1C=C(/C=C/c2ccc(O)cc2)C=C(O)C1
InChIInChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-8,15-16H,9H2/b2-1+
InChIKeyBRKBZVZQJVPBID-OWOJBTEDSA-N
XLogP2.75
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-[2-(4-hydroxyphenyl)ethenyl]cyclohexa-3,5-diene-1,1,3-triol
CID 175833179
4-[(E)-2-[4-[(E)-2-(4-hydroxyphenyl)ethenyl]phenyl]ethenyl]phenol;triiodovanadium
CID 157160802
4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]phenol
CID 52942315
4-(2-phenylethenyl)phenol
CID 157400568
4-[(Z)-2-(4-aminophenyl)ethenyl]phenol
CID 25021233
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643
(2S)-2-(4-hydroxyphenyl)-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-2,3-dihydropyran-4-one
CID 125416659
4-[6-(4-hydroxyphenyl)hexa-1,3,5-trienyl]phenol
CID 73020850
5-[2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;methane
CID 74438837
(Z)-3-(4-hydroxyphenyl)prop-2-enal
CID 57400876
5-[(E)-2-(4-hydroxyphenyl)ethenyl]benzene-1,3-diol;phosphoric acid
CID 25189491
4-[2-(4-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54294164

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one?
The IUPAC name of 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one (CID 163464524) is 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one is O=C1C=C(/C=C/c2ccc(O)cc2)C=C(O)C1.
What is the InChIKey of 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one?
The InChIKey is BRKBZVZQJVPBID-OWOJBTEDSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-5-3-10(4-6-12)1-2-11-7-13(16)9-14(17)8-11/h1-8,15-16H,9H2/b2-1+.
What are the key properties of 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one?
5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one has a molecular weight of 228.25 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-3-[(E)-2-(4-hydroxyphenyl)ethenyl]cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 163464524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).