2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one

C8H10O3 — CID 173452808

IUPAC2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1OCCO
InChIInChI=1S/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-2,4,9H,3,5-6H2
InChIKeyGAMUFMPVBREGJX-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.41
Rot. Bonds3

About 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one

2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one (PubChem CID 173452808) has the molecular formula C8H10O3 and a molecular weight of 154.16 g/mol. Its IUPAC name is 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one
PubChem CID173452808
Molecular FormulaC8H10O3
Molecular Weight154.16 g/mol
Exact Mass154.06
IUPAC Name2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one
SMILESO=C1CC=CC=C1OCCO
InChIInChI=1S/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-2,4,9H,3,5-6H2
InChIKeyGAMUFMPVBREGJX-UHFFFAOYSA-N
XLogP0.41
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(6-oxocyclohexa-1,3-dien-1-yl)methylideneamino]hex-3-en-3-yliminomethyl]cyclohexa-2,4-dien-1-one
CID 70539597
3-(hydroxymethoxy)cyclohexa-3,5-diene-1,2-dione
CID 141171076
3-(2-hydroxyethoxy)-1-methylcyclohexa-2,4-dien-1-ol;propan-2-one
CID 174804434
6-(3,6,7,10,11-pentahexoxytriphenylen-2-yl)oxyhexyl cyclopenta-1,3-diene-1-carboxylate
CID 101033116
6-[3,6,7,10,11-pentakis[6-(cyclopenta-1,3-diene-1-carbonyloxy)hexoxy]triphenylen-2-yl]oxyhexyl cyclopenta-1,3-diene-1-carboxylate
CID 101033118
2-[4-(2-hydroxyethoxy)-2,3-dimethylphenoxy]ethanol
CID 14025005
CID 162335780
CID 162335780
4-hydroxy-8H-quinolin-2-one
CID 91844576
3-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
CID 68886642
4-(2-hydroxyethoxy)-6-methyl-1H-pyridin-2-one
CID 119083997
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
(NZ)-N-(2-methylcyclohexa-2,4-dien-1-ylidene)hydroxylamine
CID 172985783

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one?
The IUPAC name of 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one (CID 173452808) is 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one is O=C1CC=CC=C1OCCO.
What is the InChIKey of 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one?
The InChIKey is GAMUFMPVBREGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O3/c9-5-6-11-8-4-2-1-3-7(8)10/h1-2,4,9H,3,5-6H2.
What are the key properties of 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one?
2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one has a molecular weight of 154.16 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethoxy)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 173452808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).