1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone

C8H10O3 — CID 149055280

IUPAC1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1C=CC(O)=CC1O
InChIInChI=1S/C8H10O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,7-8,10-11H,1H3
InChIKeyQKPOBUFJMCHGNY-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.56
Rot. Bonds1

About 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone

1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 149055280) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID149055280
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1C=CC(O)=CC1O
InChIInChI=1S/C8H10O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,7-8,10-11H,1H3
InChIKeyQKPOBUFJMCHGNY-UHFFFAOYSA-N
XLogP0.56
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 149055280) is 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone is CC(=O)C1C=CC(O)=CC1O.
What is the InChIKey of 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is QKPOBUFJMCHGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c1-5(9)7-3-2-6(10)4-8(7)11/h2-4,7-8,10-11H,1H3.
What are the key properties of 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone?
1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 154.16 g/mol, XLogP of 0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dihydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 149055280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).