6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one

C12H16O2 — CID 141037764

IUPAC6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(O)C1C1CCCCC1
InChIInChI=1S/C12H16O2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9,12-13H,1-3,5-6H2
InChIKeySTZGARVYLXUBLC-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.76
Rot. Bonds1

About 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one

6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 141037764) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one
PubChem CID141037764
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C(O)C1C1CCCCC1
InChIInChI=1S/C12H16O2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9,12-13H,1-3,5-6H2
InChIKeySTZGARVYLXUBLC-UHFFFAOYSA-N
XLogP2.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one (CID 141037764) is 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one is O=C1C=CC=C(O)C1C1CCCCC1.
What is the InChIKey of 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is STZGARVYLXUBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c13-10-7-4-8-11(14)12(10)9-5-2-1-3-6-9/h4,7-9,12-13H,1-3,5-6H2.
What are the key properties of 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one?
6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 192.26 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 141037764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).