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

C9H12O2 — CID 140982379

IUPAC6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC(CO)C1C=CC=CC1=O
InChIInChI=1S/C9H12O2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7-8,10H,6H2,1H3
InChIKeyZJUMYCSGWPDLGZ-UHFFFAOYSA-N
MW152.19 g/mol
LogP0.93
Rot. Bonds2

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

6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one (PubChem CID 140982379) has the molecular formula C9H12O2 and a molecular weight of 152.19 g/mol. Its IUPAC name is 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
PubChem CID140982379
Molecular FormulaC9H12O2
Molecular Weight152.19 g/mol
Exact Mass152.08
IUPAC Name6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
SMILESCC(CO)C1C=CC=CC1=O
InChIInChI=1S/C9H12O2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7-8,10H,6H2,1H3
InChIKeyZJUMYCSGWPDLGZ-UHFFFAOYSA-N
XLogP0.93
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.19
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(6R)-6-[(S)-amino(hydroxy)methyl]cyclohexa-2,4-dien-1-one
CID 124639297
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
6-(2,2-diethoxyacetyl)cyclohexa-2,4-dien-1-one
CID 141088837
6-(2-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one
CID 141269706
2-[(2R)-6-methyl-1,2-dihydropyridin-2-yl]propan-1-ol
CID 121480613
(1R)-1-[(1R)-2,3-dimethylcyclohepta-2,4,6-trien-1-yl]ethanamine
CID 170285616
6-oxocyclohexa-2,4-diene-1-carboxylic acid
CID 53400811
6-cyclopropylcyclohexa-2,4-dien-1-one
CID 141363808
6-[2-(dimethylamino)acetyl]cyclohexa-2,4-dien-1-one
CID 140991636
8-bromocycloocta-2,4,6-trien-1-one
CID 71392363
3,4-dihydroxy-2-(1-hydroxypropan-2-yl)-2H-furan-5-one
CID 54684743
6-oxocyclohexa-2,4-diene-1-sulfonic acid;trihydrate
CID 141191996

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one (CID 140982379) is 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one is CC(CO)C1C=CC=CC1=O.
What is the InChIKey of 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
The InChIKey is ZJUMYCSGWPDLGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2/c1-7(6-10)8-4-2-3-5-9(8)11/h2-5,7-8,10H,6H2,1H3.
What are the key properties of 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one?
6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one has a molecular weight of 152.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxypropan-2-yl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 140982379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).