methyl 3-hydroxycyclohexene-1-carboxylate

C8H12O3 — CID 14874032

IUPACmethyl 3-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(O)CCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h5,7,9H,2-4H2,1H3
InChIKeyKBACPOOKKBKMMD-UHFFFAOYSA-N
MW156.18 g/mol
LogP0.63
Rot. Bonds1

About methyl 3-hydroxycyclohexene-1-carboxylate

methyl 3-hydroxycyclohexene-1-carboxylate (PubChem CID 14874032) has the molecular formula C8H12O3 and a molecular weight of 156.18 g/mol. Its IUPAC name is methyl 3-hydroxycyclohexene-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-hydroxycyclohexene-1-carboxylate
PubChem CID14874032
Molecular FormulaC8H12O3
Molecular Weight156.18 g/mol
Exact Mass156.08
IUPAC Namemethyl 3-hydroxycyclohexene-1-carboxylate
SMILESCOC(=O)C1=CC(O)CCC1
InChIInChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h5,7,9H,2-4H2,1H3
InChIKeyKBACPOOKKBKMMD-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-hydroxycyclohexene-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 3-hydroxycyclohexene-1-carboxylate?
The IUPAC name of methyl 3-hydroxycyclohexene-1-carboxylate (CID 14874032) is methyl 3-hydroxycyclohexene-1-carboxylate.
What is the SMILES notation for methyl 3-hydroxycyclohexene-1-carboxylate?
The canonical SMILES for methyl 3-hydroxycyclohexene-1-carboxylate is COC(=O)C1=CC(O)CCC1.
What is the InChIKey of methyl 3-hydroxycyclohexene-1-carboxylate?
The InChIKey is KBACPOOKKBKMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3/c1-11-8(10)6-3-2-4-7(9)5-6/h5,7,9H,2-4H2,1H3.
What are the key properties of methyl 3-hydroxycyclohexene-1-carboxylate?
methyl 3-hydroxycyclohexene-1-carboxylate has a molecular weight of 156.18 g/mol, XLogP of 0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxycyclohexene-1-carboxylate is sourced from PubChem (CID 14874032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).