1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone

C8H10O2 — CID 154040736

IUPAC1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1CC=CC=C1O
InChIInChI=1S/C8H10O2/c1-6(9)7-4-2-3-5-8(7)10/h2-3,5,7,10H,4H2,1H3
InChIKeyLCWBMEWPXRYJNG-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.59
Rot. Bonds1

About 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone

1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 154040736) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID154040736
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1CC=CC=C1O
InChIInChI=1S/C8H10O2/c1-6(9)7-4-2-3-5-8(7)10/h2-3,5,7,10H,4H2,1H3
InChIKeyLCWBMEWPXRYJNG-UHFFFAOYSA-N
XLogP1.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(6-Fluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 69749997
1-(4,6-Difluoro-6-hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 70396095
3-[Cyclopenta-2,4-dien-1-ylidene(hydroxy)methyl]-1,1,1-trifluoropentane-2,4-dione
CID 168475096
6-Ethyl-5-hydroxy-3-methylcyclohexa-2,4-dien-1-one
CID 60024938
1-(5-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 68342210
5-Hydroxy-6-propan-2-ylcyclohexa-2,4-dien-1-one
CID 69022152
1-(2-Hydroxy-1-methylcyclohexa-2,4-dien-1-yl)prop-2-en-1-one
CID 70395543
6-Tert-butyl-5-hydroxycyclohexa-2,4-dien-1-one
CID 70598122
1-(3-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 70658660
1-(4-Hydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 70658681
1-(5-Hydroxycyclohexa-1,5-dien-1-yl)propan-2-one
CID 89204646
1-(2,5-Dihydroxycyclohexa-2,4-dien-1-yl)ethanone
CID 89828362

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 154040736) is 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone is CC(=O)C1CC=CC=C1O.
What is the InChIKey of 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is LCWBMEWPXRYJNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-6(9)7-4-2-3-5-8(7)10/h2-3,5,7,10H,4H2,1H3.
What are the key properties of 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 154040736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).