(6R)-6-hydroxycyclohexa-2,4-dien-1-one

C6H6O2 — CID 122227918

IUPAC(6R)-6-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C[C@H]1O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-5,7H/t5-/m1/s1
InChIKeyOMDZIQQFRGDFAP-RXMQYKEDSA-N
MW110.11 g/mol
LogP0.04
Rot. Bonds

About (6R)-6-hydroxycyclohexa-2,4-dien-1-one

(6R)-6-hydroxycyclohexa-2,4-dien-1-one (PubChem CID 122227918) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is (6R)-6-hydroxycyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6R)-6-hydroxycyclohexa-2,4-dien-1-one
PubChem CID122227918
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name(6R)-6-hydroxycyclohexa-2,4-dien-1-one
SMILESO=C1C=CC=C[C@H]1O
InChIInChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-5,7H/t5-/m1/s1
InChIKeyOMDZIQQFRGDFAP-RXMQYKEDSA-N
XLogP0.04
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.11
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-hydroxycyclohexa-2,4-dien-1-one?
The IUPAC name of (6R)-6-hydroxycyclohexa-2,4-dien-1-one (CID 122227918) is (6R)-6-hydroxycyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6R)-6-hydroxycyclohexa-2,4-dien-1-one?
The canonical SMILES for (6R)-6-hydroxycyclohexa-2,4-dien-1-one is O=C1C=CC=C[C@H]1O.
What is the InChIKey of (6R)-6-hydroxycyclohexa-2,4-dien-1-one?
The InChIKey is OMDZIQQFRGDFAP-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-3-1-2-4-6(5)8/h1-5,7H/t5-/m1/s1.
What are the key properties of (6R)-6-hydroxycyclohexa-2,4-dien-1-one?
(6R)-6-hydroxycyclohexa-2,4-dien-1-one has a molecular weight of 110.11 g/mol, XLogP of 0.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-hydroxycyclohexa-2,4-dien-1-one is sourced from PubChem (CID 122227918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).