6-(2-hydroxyphenyl)hex-5-ene-2,4-dione

C12H12O3 — CID 91017486

IUPAC6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
SMILESCC(=O)CC(=O)C=Cc1ccccc1O
InChIInChI=1S/C12H12O3/c1-9(13)8-11(14)7-6-10-4-2-3-5-12(10)15/h2-7,15H,8H2,1H3
InChIKeyYRFOSQQBTYTIOI-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.95
Rot. Bonds4

About 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione

6-(2-hydroxyphenyl)hex-5-ene-2,4-dione (PubChem CID 91017486) has the molecular formula C12H12O3 and a molecular weight of 204.22 g/mol. Its IUPAC name is 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
PubChem CID91017486
Molecular FormulaC12H12O3
Molecular Weight204.22 g/mol
Exact Mass204.08
IUPAC Name6-(2-hydroxyphenyl)hex-5-ene-2,4-dione
SMILESCC(=O)CC(=O)C=Cc1ccccc1O
InChIInChI=1S/C12H12O3/c1-9(13)8-11(14)7-6-10-4-2-3-5-12(10)15/h2-7,15H,8H2,1H3
InChIKeyYRFOSQQBTYTIOI-UHFFFAOYSA-N
XLogP1.95
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(1Z,4E)-1,5-bis(2-hydroxyphenyl)penta-1,4-dien-3-one
CID 6436784
1-(2-hydroxyphenyl)-4-methylpenta-1,4-dien-3-one
CID 154111061
(Z)-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 5280841
(1E,6E)-1,7-bis(3-hydroxy-2-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 68550640
(E)-6-(2-chloro-4-hydroxyphenyl)hex-5-ene-2,4-dione
CID 67106842
(2Z,4E)-5-(2-hydroxyphenyl)-3-methylpenta-2,4-dienoic acid
CID 15150197
(1E,6E)-1-(2,5-dihydroxyphenyl)-7-(3-hydroxyphenyl)hepta-1,6-diene-3,5-dione
CID 155518714
3-(2-hydroxyphenyl)-1-[3-[3-(2-hydroxyphenyl)prop-2-enoyl]phenyl]prop-2-en-1-one
CID 2749298
(E)-5-(2-hydroxyphenyl)-2,3-dioxopent-4-enoic acid
CID 102322322
(E)-3-(2-hydroxyphenyl)-1-(2-methylphenyl)prop-2-en-1-one
CID 164898916
ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione?
The IUPAC name of 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione (CID 91017486) is 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione.
What is the SMILES notation for 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione?
The canonical SMILES for 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione is CC(=O)CC(=O)C=Cc1ccccc1O.
What is the InChIKey of 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione?
The InChIKey is YRFOSQQBTYTIOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O3/c1-9(13)8-11(14)7-6-10-4-2-3-5-12(10)15/h2-7,15H,8H2,1H3.
What are the key properties of 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione?
6-(2-hydroxyphenyl)hex-5-ene-2,4-dione has a molecular weight of 204.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyphenyl)hex-5-ene-2,4-dione is sourced from PubChem (CID 91017486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).