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

C6H6O2 — CID 20320

IUPAC4-hydroxycyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)C=C1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H
InChIKeyZHIJXDCTUKJHPK-UHFFFAOYSA-N
MW110.11 g/mol
LogP0.04
Rot. Bonds

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

4-hydroxycyclohexa-2,5-dien-1-one (PubChem CID 20320) has the molecular formula C6H6O2 and a molecular weight of 110.11 g/mol. Its IUPAC name is 4-hydroxycyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-hydroxycyclohexa-2,5-dien-1-one
PubChem CID20320
Molecular FormulaC6H6O2
Molecular Weight110.11 g/mol
Exact Mass110.04
IUPAC Name4-hydroxycyclohexa-2,5-dien-1-one
SMILESO=C1C=CC(O)C=C1
InChIInChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H
InChIKeyZHIJXDCTUKJHPK-UHFFFAOYSA-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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Related Compounds

Hydroxypentenal
CID 6439969
4-Hydroxy-2-pentenal
CID 103032
3-Fluoro-4-hydroxycyclohexa-2,5-dien-1-one
CID 145995105
(E)-5-hydroxyhex-3-en-2-one
CID 10898686
(E)-5-hydroxypent-3-en-2-one
CID 12488058
4,4-Dihydroxycyclohexa-2,5-dien-1-one
CID 23174749
(e)-6-Hydroxyhex-4-en-3-one
CID 57763310
1,1-Difluoro-5-hydroxypent-3-en-2-one
CID 174055755
4-Oxocyclohexa-2,5-dien-1-olate
CID 101124823
1-Oxa-3,6-octadiene-5-one
CID 129805911
(2E,5E)-7-hydroxyocta-2,5-dien-4-one
CID 10419264
(E,4S)-4-hydroxypent-2-enal
CID 92287079

Frequently Asked Questions

What is the IUPAC name of 4-hydroxycyclohexa-2,5-dien-1-one?
The IUPAC name of 4-hydroxycyclohexa-2,5-dien-1-one (CID 20320) is 4-hydroxycyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-hydroxycyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-hydroxycyclohexa-2,5-dien-1-one is O=C1C=CC(O)C=C1.
What is the InChIKey of 4-hydroxycyclohexa-2,5-dien-1-one?
The InChIKey is ZHIJXDCTUKJHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O2/c7-5-1-2-6(8)4-3-5/h1-5,7H.
What are the key properties of 4-hydroxycyclohexa-2,5-dien-1-one?
4-hydroxycyclohexa-2,5-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 4-hydroxycyclohexa-2,5-dien-1-one is sourced from PubChem (CID 20320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).