5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one

C9H12O2 — CID 69022152

IUPAC5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)C1C(=O)C=CC=C1O
InChIInChI=1S/C9H12O2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6,9-10H,1-2H3
InChIKeyGYIAFEDYMYWREH-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.84
Rot. Bonds1

About 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one

5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one (PubChem CID 69022152) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one
PubChem CID69022152
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)C1C(=O)C=CC=C1O
InChIInChI=1S/C9H12O2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6,9-10H,1-2H3
InChIKeyGYIAFEDYMYWREH-UHFFFAOYSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one (CID 69022152) is 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one is CC(C)C1C(=O)C=CC=C1O.
What is the InChIKey of 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one?
The InChIKey is GYIAFEDYMYWREH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-6(2)9-7(10)4-3-5-8(9)11/h3-6,9-10H,1-2H3.
What are the key properties of 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one?
5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 69022152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).