2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one

C15H20O2 — CID 69302700

IUPAC2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESO=C1CC(C2C=CCCC2)OC2=C1CCCC2
InChIInChI=1S/C15H20O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6,11,15H,1,3-5,7-10H2
InChIKeyKYSCCASVORWPLK-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.53
Rot. Bonds1

About 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one

2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one (PubChem CID 69302700) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one.

Molecular Properties

Compound Name2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
PubChem CID69302700
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one
SMILESO=C1CC(C2C=CCCC2)OC2=C1CCCC2
InChIInChI=1S/C15H20O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6,11,15H,1,3-5,7-10H2
InChIKeyKYSCCASVORWPLK-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-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 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The IUPAC name of 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one (CID 69302700) is 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one.
What is the SMILES notation for 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The canonical SMILES for 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one is O=C1CC(C2C=CCCC2)OC2=C1CCCC2.
What is the InChIKey of 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
The InChIKey is KYSCCASVORWPLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h2,6,11,15H,1,3-5,7-10H2.
What are the key properties of 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one?
2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one has a molecular weight of 232.32 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-yl-2,3,5,6,7,8-hexahydrochromen-4-one is sourced from PubChem (CID 69302700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).