(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one

C7H8O2 — CID 101374291

IUPAC(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
SMILESC[C@]1(O)C=CC=CC1=O
InChIInChI=1S/C7H8O2/c1-7(9)5-3-2-4-6(7)8/h2-5,9H,1H3/t7-/m0/s1
InChIKeyOSCYXAOVNVOPDK-ZETCQYMHSA-N
MW124.14 g/mol
LogP0.43
Rot. Bonds

About (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one

(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one (PubChem CID 101374291) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
PubChem CID101374291
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one
SMILESC[C@]1(O)C=CC=CC1=O
InChIInChI=1S/C7H8O2/c1-7(9)5-3-2-4-6(7)8/h2-5,9H,1H3/t7-/m0/s1
InChIKeyOSCYXAOVNVOPDK-ZETCQYMHSA-N
XLogP0.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The IUPAC name of (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one (CID 101374291) is (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one.
What is the SMILES notation for (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The canonical SMILES for (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one is C[C@]1(O)C=CC=CC1=O.
What is the InChIKey of (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
The InChIKey is OSCYXAOVNVOPDK-ZETCQYMHSA-N. The full InChI is InChI=1S/C7H8O2/c1-7(9)5-3-2-4-6(7)8/h2-5,9H,1H3/t7-/m0/s1.
What are the key properties of (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one?
(6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one has a molecular weight of 124.14 g/mol, XLogP of 0.43, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-hydroxy-6-methylcyclohexa-2,4-dien-1-one is sourced from PubChem (CID 101374291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).