6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one

C15H20O2 — CID 23405122

IUPAC6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one
SMILESCC(C)c1cc2c(cc1C(C)C)OC(=O)CC2
InChIInChI=1S/C15H20O2/c1-9(2)12-7-11-5-6-15(16)17-14(11)8-13(12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyGSKVTVJXLQDOFN-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.79
Rot. Bonds2

About 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one

6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one (PubChem CID 23405122) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one
PubChem CID23405122
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one
SMILESCC(C)c1cc2c(cc1C(C)C)OC(=O)CC2
InChIInChI=1S/C15H20O2/c1-9(2)12-7-11-5-6-15(16)17-14(11)8-13(12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyGSKVTVJXLQDOFN-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-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 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one (CID 23405122) is 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one is CC(C)c1cc2c(cc1C(C)C)OC(=O)CC2.
What is the InChIKey of 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The InChIKey is GSKVTVJXLQDOFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)12-7-11-5-6-15(16)17-14(11)8-13(12)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one?
6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one has a molecular weight of 232.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-di(propan-2-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 23405122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).