2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one

C9H10O2 — CID 67495218

IUPAC2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
SMILESC=CCC1C=CC=C(O)C1=O
InChIInChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-7,10H,1,4H2
InChIKeyQSZYOEQZTVKASU-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.76
Rot. Bonds2

About 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one

2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one (PubChem CID 67495218) has the molecular formula C9H10O2 and a molecular weight of 150.18 g/mol. Its IUPAC name is 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
PubChem CID67495218
Molecular FormulaC9H10O2
Molecular Weight150.18 g/mol
Exact Mass150.07
IUPAC Name2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
SMILESC=CCC1C=CC=C(O)C1=O
InChIInChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-7,10H,1,4H2
InChIKeyQSZYOEQZTVKASU-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one?
The IUPAC name of 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one (CID 67495218) is 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one is C=CCC1C=CC=C(O)C1=O.
What is the InChIKey of 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one?
The InChIKey is QSZYOEQZTVKASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2/c1-2-4-7-5-3-6-8(10)9(7)11/h2-3,5-7,10H,1,4H2.
What are the key properties of 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one?
2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one has a molecular weight of 150.18 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 67495218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).