1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone

C8H10O2 — CID 139632033

IUPAC1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1C=CC=CC1
InChIInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,9H,5-6H2
InChIKeyLYKVNVQLMOYUHE-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.68
Rot. Bonds2

About 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone

1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone (PubChem CID 139632033) has the molecular formula C8H10O2 and a molecular weight of 138.17 g/mol. Its IUPAC name is 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone.

Molecular Properties

Compound Name1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone
PubChem CID139632033
Molecular FormulaC8H10O2
Molecular Weight138.17 g/mol
Exact Mass138.07
IUPAC Name1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone
SMILESO=C(CO)C1C=CC=CC1
InChIInChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,9H,5-6H2
InChIKeyLYKVNVQLMOYUHE-UHFFFAOYSA-N
XLogP0.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-Fluorocyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
CID 153741667
1-Cyclopenta-2,4-dien-1-yl-2-hydroxyethanone
CID 25090616
(3R)-1-hydroxy-3-methylhept-5-en-2-one
CID 53635376
1-(6,6-Dimethylcyclohexa-2,4-dien-1-yl)-2-hydroxyethanone
CID 67428165
2-Hydroxy-6-prop-2-enylcyclohexa-2,4-dien-1-one
CID 67495218
2-Cyclohexa-2,4-dien-1-yl-2-oxoacetic acid
CID 68062993
4-(3-Hydroxy-2-oxopropyl)cyclohexa-2,4-dien-1-one
CID 69402482
2-Hydroxy-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 69933507
2-Hydroxy-1-(2-sulfanylcyclohexa-2,4-dien-1-yl)propan-1-one
CID 88560603
1-Cyclopent-3-en-1-yl-2-hydroxyethanone
CID 130027310
6-(2-Hydroxyacetyl)cyclohexa-2,4-dien-1-one
CID 140971366
2,2-Dihydroxy-1-(6-methylidenecyclohexa-2,4-dien-1-yl)ethanone
CID 154487619

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone?
The IUPAC name of 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone (CID 139632033) is 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone.
What is the SMILES notation for 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone?
The canonical SMILES for 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone is O=C(CO)C1C=CC=CC1.
What is the InChIKey of 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone?
The InChIKey is LYKVNVQLMOYUHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,7,9H,5-6H2.
What are the key properties of 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone?
1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone has a molecular weight of 138.17 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-2,4-dien-1-yl-2-hydroxyethanone is sourced from PubChem (CID 139632033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).