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

C8H10O2 — CID 66588576

IUPAC1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(O)C=CC=CC1
InChIInChI=1S/C8H10O2/c1-7(9)8(10)5-3-2-4-6-8/h2-5,10H,6H2,1H3
InChIKeyYYWLLFWGEXVUSK-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.82
Rot. Bonds1

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

1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone (PubChem CID 66588576) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone.

Molecular Properties

Compound Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
PubChem CID66588576
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone
SMILESCC(=O)C1(O)C=CC=CC1
InChIInChI=1S/C8H10O2/c1-7(9)8(10)5-3-2-4-6-8/h2-5,10H,6H2,1H3
InChIKeyYYWLLFWGEXVUSK-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The IUPAC name of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone (CID 66588576) is 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone.
What is the SMILES notation for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The canonical SMILES for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone is CC(=O)C1(O)C=CC=CC1.
What is the InChIKey of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
The InChIKey is YYWLLFWGEXVUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c1-7(9)8(10)5-3-2-4-6-8/h2-5,10H,6H2,1H3.
What are the key properties of 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone?
1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone has a molecular weight of 138.17 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxycyclohexa-2,4-dien-1-yl)ethanone is sourced from PubChem (CID 66588576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).