2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate

C23H30O3 — CID 174974194

IUPAC2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate
SMILESC=CCOC(=O)CCC1CCCCC1.COc1ccc2ccccc2c1
InChIInChI=1S/C12H20O2.C11H10O/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2,11H,1,3-10H2;2-8H,1H3
InChIKeyLPBFNZVEPPKBGI-UHFFFAOYSA-N
MW354.49 g/mol
LogP5.92
Rot. Bonds6

About 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate

2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate (PubChem CID 174974194) has the molecular formula C23H30O3 and a molecular weight of 354.49 g/mol. Its IUPAC name is 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate.

Molecular Properties

Compound Name2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate
PubChem CID174974194
Molecular FormulaC23H30O3
Molecular Weight354.49 g/mol
Exact Mass354.22
IUPAC Name2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate
SMILESC=CCOC(=O)CCC1CCCCC1.COc1ccc2ccccc2c1
InChIInChI=1S/C12H20O2.C11H10O/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2,11H,1,3-10H2;2-8H,1H3
InChIKeyLPBFNZVEPPKBGI-UHFFFAOYSA-N
XLogP5.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.49
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate 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 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate?
The IUPAC name of 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate (CID 174974194) is 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate.
What is the SMILES notation for 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate?
The canonical SMILES for 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate is C=CCOC(=O)CCC1CCCCC1.COc1ccc2ccccc2c1.
What is the InChIKey of 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate?
The InChIKey is LPBFNZVEPPKBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O2.C11H10O/c1-2-10-14-12(13)9-8-11-6-4-3-5-7-11;1-12-11-7-6-9-4-2-3-5-10(9)8-11/h2,11H,1,3-10H2;2-8H,1H3.
What are the key properties of 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate?
2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate has a molecular weight of 354.49 g/mol, XLogP of 5.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxynaphthalene;prop-2-enyl 3-cyclohexylpropanoate is sourced from PubChem (CID 174974194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).