4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one

C8H12O3 — CID 130150786

IUPAC4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one
SMILESCOC1=CC(=O)C(C)C1CO
InChIInChI=1S/C8H12O3/c1-5-6(4-9)8(11-2)3-7(5)10/h3,5-6,9H,4H2,1-2H3
InChIKeyRJBDPQXGKZZTDM-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.34
Rot. Bonds2

About 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one

4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one (PubChem CID 130150786) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one.

Molecular Properties

Compound Name4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one
PubChem CID130150786
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Name4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one
SMILESCOC1=CC(=O)C(C)C1CO
InChIInChI=1S/C8H12O3/c1-5-6(4-9)8(11-2)3-7(5)10/h3,5-6,9H,4H2,1-2H3
InChIKeyRJBDPQXGKZZTDM-UHFFFAOYSA-N
XLogP0.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one?
The IUPAC name of 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one (CID 130150786) is 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one.
What is the SMILES notation for 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one?
The canonical SMILES for 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one is COC1=CC(=O)C(C)C1CO.
What is the InChIKey of 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one?
The InChIKey is RJBDPQXGKZZTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-5-6(4-9)8(11-2)3-7(5)10/h3,5-6,9H,4H2,1-2H3.
What are the key properties of 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one?
4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one has a molecular weight of 156.18 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-3-methoxy-5-methylcyclopent-2-en-1-one is sourced from PubChem (CID 130150786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).