6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one

C9H12O2 — CID 141269706

IUPAC6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC(C)(O)C1C=CC=CC1=O
InChIInChI=1S/C9H12O2/c1-9(2,11)7-5-3-4-6-8(7)10/h3-7,11H,1-2H3
InChIKeyRANVNGXYABXPKV-UHFFFAOYSA-N
MW152.19 g/mol
LogP1.07
Rot. Bonds1

About 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one

6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one (PubChem CID 141269706) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
PubChem CID141269706
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC(C)(O)C1C=CC=CC1=O
InChIInChI=1S/C9H12O2/c1-9(2,11)7-5-3-4-6-8(7)10/h3-7,11H,1-2H3
InChIKeyRANVNGXYABXPKV-UHFFFAOYSA-N
XLogP1.07
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 ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
1-methylimino-2-(6-methyliminocyclohexa-2,4-dien-1-yl)propan-2-ol
CID 102297237
2-cyclopenta-2,4-dien-1-ylpropan-2-ol
CID 12574784
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
6-(4,4,4-trihydroxybutanoyl)cyclohexa-2,4-dien-1-one
CID 141034748
(6R)-6-[(S)-amino(hydroxy)methyl]cyclohexa-2,4-dien-1-one
CID 124639297
8-bromocycloocta-2,4,6-trien-1-one
CID 71392363
6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
CID 140982379
6-oxocyclohexa-2,4-diene-1-sulfonic acid;trihydrate
CID 141191996
6-[2-(dimethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 140991636
6-cyclopropylcyclohexa-2,4-dien-1-one
CID 141363808
1-cyclopenta-2,4-dien-1-yl-1-phenylethanol
CID 12574787

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one (CID 141269706) is 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one is CC(C)(O)C1C=CC=CC1=O.
What is the InChIKey of 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is RANVNGXYABXPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-9(2,11)7-5-3-4-6-8(7)10/h3-7,11H,1-2H3.
What are the key properties of 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 152.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141269706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).