4-hydroxy-3-methoxycyclohex-2-en-1-one

C7H10O3 — CID 10855560

IUPAC4-hydroxy-3-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CCC1O
InChIInChI=1S/C7H10O3/c1-10-7-4-5(8)2-3-6(7)9/h4,6,9H,2-3H2,1H3
InChIKeyDNKXKUCEEAKIPE-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 4-hydroxy-3-methoxycyclohex-2-en-1-one

4-hydroxy-3-methoxycyclohex-2-en-1-one (PubChem CID 10855560) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxycyclohex-2-en-1-one
PubChem CID10855560
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3-methoxycyclohex-2-en-1-one
SMILESCOC1=CC(=O)CCC1O
InChIInChI=1S/C7H10O3/c1-10-7-4-5(8)2-3-6(7)9/h4,6,9H,2-3H2,1H3
InChIKeyDNKXKUCEEAKIPE-UHFFFAOYSA-N
XLogP0.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexen-3,6-diol-1-one
CID 10942433
3,4-Dimethoxycyclohex-2-en-1-one
CID 14414069
(4R,5R)-4-hydroxy-3,5-dimethoxycyclohex-2-en-1-one
CID 90797097
4-Hydroxy-3-methoxycyclopent-2-en-1-one
CID 13057910
2-(Hydroxymethyl)-5-(3-hydroxypropyl)pyran-4-one
CID 88879009
(4S)-4-hydroxy-3-methoxy-2-methyl-6-methylidenecyclohex-2-en-1-one
CID 89347805
4-Hydroxy-3-methoxy-5-propylcyclohexa-2,5-dien-1-one
CID 45358465
(4S,5S)-4,5-dihydroxy-3-methoxycyclohex-2-en-1-one
CID 60171382
(4S)-3,4-dihydroxycyclohex-2-en-1-one
CID 101914858
(4R,5R)-4,5-dihydroxy-3-methoxycyclohex-2-en-1-one
CID 102454118
3-Ethoxy-4-hydroxycyclopent-2-en-1-one
CID 130029490
(4aS,8aR)-4-hydroxy-3-methoxy-4a,5,8,8a-tetrahydro-4H-naphthalen-1-one
CID 131065408

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxycyclohex-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methoxycyclohex-2-en-1-one (CID 10855560) is 4-hydroxy-3-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methoxycyclohex-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methoxycyclohex-2-en-1-one is COC1=CC(=O)CCC1O.
What is the InChIKey of 4-hydroxy-3-methoxycyclohex-2-en-1-one?
The InChIKey is DNKXKUCEEAKIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-10-7-4-5(8)2-3-6(7)9/h4,6,9H,2-3H2,1H3.
What are the key properties of 4-hydroxy-3-methoxycyclohex-2-en-1-one?
4-hydroxy-3-methoxycyclohex-2-en-1-one has a molecular weight of 142.15 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 10855560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).