methyl 4-hydroxycyclohex-2-ene-1-carboxylate

C8H12O3 — CID 85312144

IUPACmethyl 4-hydroxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CC(O)CC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2,4,6-7,9H,3,5H2,1H3
InChIKeyHYLMWZRXTXPMCN-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.49
Rot. Bonds1

About methyl 4-hydroxycyclohex-2-ene-1-carboxylate

methyl 4-hydroxycyclohex-2-ene-1-carboxylate (PubChem CID 85312144) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 4-hydroxycyclohex-2-ene-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-hydroxycyclohex-2-ene-1-carboxylate
PubChem CID85312144
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 4-hydroxycyclohex-2-ene-1-carboxylate
SMILESCOC(=O)C1C=CC(O)CC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2,4,6-7,9H,3,5H2,1H3
InChIKeyHYLMWZRXTXPMCN-UHFFFAOYSA-N
XLogP0.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.18
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze methyl 4-hydroxycyclohex-2-ene-1-carboxylate 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 methyl 4-hydroxycyclohex-2-ene-1-carboxylate?
The IUPAC name of methyl 4-hydroxycyclohex-2-ene-1-carboxylate (CID 85312144) is methyl 4-hydroxycyclohex-2-ene-1-carboxylate.
What is the SMILES notation for methyl 4-hydroxycyclohex-2-ene-1-carboxylate?
The canonical SMILES for methyl 4-hydroxycyclohex-2-ene-1-carboxylate is COC(=O)C1C=CC(O)CC1.
What is the InChIKey of methyl 4-hydroxycyclohex-2-ene-1-carboxylate?
The InChIKey is HYLMWZRXTXPMCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)6-2-4-7(9)5-3-6/h2,4,6-7,9H,3,5H2,1H3.
What are the key properties of methyl 4-hydroxycyclohex-2-ene-1-carboxylate?
methyl 4-hydroxycyclohex-2-ene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxycyclohex-2-ene-1-carboxylate is sourced from PubChem (CID 85312144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).