4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one

C7H10O3 — CID 132532835

IUPAC4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1(C)O
InChIInChI=1S/C7H10O3/c1-4-5(8)7(2,9)6(4)10-3/h9H,1-3H3
InChIKeyDUEFJGLHICAZFG-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.24
Rot. Bonds1

About 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one

4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one (PubChem CID 132532835) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one
PubChem CID132532835
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one
SMILESCOC1=C(C)C(=O)C1(C)O
InChIInChI=1S/C7H10O3/c1-4-5(8)7(2,9)6(4)10-3/h9H,1-3H3
InChIKeyDUEFJGLHICAZFG-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

4-(Hex-1-yn-1-yl)-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 14033471
4-Hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 10820813
4-Ethynyl-4-hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 14813450
4-Ethynyl-4-hydroxy-3-methoxy-2-methylcyclobut-2-en-1-one
CID 14813456
4-Hex-1-ynyl-4-hydroxy-2-methyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 14813457
6-Hydroxy-5-methoxy-2,6-dimethylcyclohexa-2,4-dien-1-one
CID 16754133
4-Hydroxy-2,3-dimethoxy-4-methylcyclobut-2-en-1-one
CID 10261343
4-Hydroxy-3-methoxy-2-propan-2-yl-4-prop-1-ynylcyclobut-2-en-1-one
CID 10821629
4-Hydroxy-2-methyl-4-pent-1-ynyl-3-propan-2-yloxycyclobut-2-en-1-one
CID 101660942

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The IUPAC name of 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one (CID 132532835) is 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The canonical SMILES for 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one is COC1=C(C)C(=O)C1(C)O.
What is the InChIKey of 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
The InChIKey is DUEFJGLHICAZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3/c1-4-5(8)7(2,9)6(4)10-3/h9H,1-3H3.
What are the key properties of 4-hydroxy-3-methoxy-2,4-dimethylcyclobut-2-en-1-one?
4-hydroxy-3-methoxy-2,4-dimethylcyclobut-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-methoxy-2,4-dimethylcyclobut-2-en-1-one is sourced from PubChem (CID 132532835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).