6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one

C10H14O2 — CID 140987931

IUPAC6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
SMILESCC(C)CC1(O)C=CC=CC1=O
InChIInChI=1S/C10H14O2/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyLUPOYGVDHAVVSZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.46
Rot. Bonds2

About 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one

6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one (PubChem CID 140987931) has the molecular formula C10H14O2 and a molecular weight of 166.22 g/mol. Its IUPAC name is 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
PubChem CID140987931
Molecular FormulaC10H14O2
Molecular Weight166.22 g/mol
Exact Mass166.10
IUPAC Name6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one
SMILESCC(C)CC1(O)C=CC=CC1=O
InChIInChI=1S/C10H14O2/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3
InChIKeyLUPOYGVDHAVVSZ-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,6Z)-2-hydroxy-6-[(2E,4E)-1-hydroxyhexa-2,4-dienylidene]-2,4-dimethylcyclohex-4-ene-1,3-dione
CID 170988611
1-(1-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 66588576
2-Hydroxy-2-methyl phenyl acetone
CID 66854811
2-Ethyl-6-hydroxy-6-(trifluoromethyl)cyclohexa-2,4-dien-1-one
CID 20061923
6-(2-Fluorocyclopropyl)-3,6-dihydroxycyclohexa-2,4-dien-1-one
CID 67802332
6-Hydroxy-2,5,6-trimethylcyclohexa-2,4-dien-1-one
CID 12264347
6-Hydroxy-6-methylcyclohex-2-en-1-one
CID 123420568
3,5-Ditert-butyl-6-hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
CID 134924990
(E)-1-(1-hydroxycyclohex-2-en-1-yl)hept-2-en-1-one
CID 139248698
(-)-Trichodermatone
CID 170989500
Bicyclo[3.2.2]nona-2,6-dien-5-ol-4-one
CID 565092
(2R,6S)-2-hydroxy-2,6-dimethylcyclohex-3-en-1-one
CID 21670913

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one (CID 140987931) is 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one is CC(C)CC1(O)C=CC=CC1=O.
What is the InChIKey of 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
The InChIKey is LUPOYGVDHAVVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2/c1-8(2)7-10(12)6-4-3-5-9(10)11/h3-6,8,12H,7H2,1-2H3.
What are the key properties of 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one?
6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one has a molecular weight of 166.22 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-6-(2-methylpropyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 140987931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).