4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one

C10H14O2 — CID 165430614

IUPAC4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)C1=CC(=O)C(C)C=C1O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3
InChIKeyQZGDYXFNICWHLG-UHFFFAOYSA-N
MW166.22 g/mol
LogP2.23
Rot. Bonds1

About 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one

4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one (PubChem CID 165430614) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one
PubChem CID165430614
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one
SMILESCC(C)C1=CC(=O)C(C)C=C1O
InChIInChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3
InChIKeyQZGDYXFNICWHLG-UHFFFAOYSA-N
XLogP2.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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2-Hydroxy-5-methylquinone
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(3Z,5E,7E,9E,11S)-4-hydroxy-11-methyltrideca-3,5,7,9-tetraen-2-one
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2-Hydroxy-3-methyl-5-(3-methylbut-2-enyl)-1,4-benzoquinone
CID 6480939
4-Hydroxy-2,4,5-trimethyl-2,5-cyclohexadien-1-one
CID 586396
Methylphoracetophenone
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6-Methyl-7-methylidene-3-oxidanyl-cyclohepta-2,5-diene-1,4-dione
CID 101190042
2-Hydroxy-3,5-dimethyl-2,5-cyclohexadiene-1,4-dione
CID 3014147
2-Hydroxy-5,6-dimethyl-[1,4]benzoquinone
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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one?
The IUPAC name of 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one (CID 165430614) is 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one is CC(C)C1=CC(=O)C(C)C=C1O.
What is the InChIKey of 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one?
The InChIKey is QZGDYXFNICWHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-6(2)8-5-9(11)7(3)4-10(8)12/h4-7,12H,1-3H3.
What are the key properties of 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one?
4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 2.23, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-propan-2-ylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 165430614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).