6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one

C15H20O2 — CID 154096528

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

About 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one

6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one (PubChem CID 154096528) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
PubChem CID154096528
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one
SMILESCC(C)c1cc2c(c(C(C)C)c1)OC(=O)CC2
InChIInChI=1S/C15H20O2/c1-9(2)12-7-11-5-6-14(16)17-15(11)13(8-12)10(3)4/h7-10H,5-6H2,1-4H3
InChIKeyONHSTFRMPBIZGA-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'}

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Frequently Asked Questions

What is the IUPAC name of 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The IUPAC name of 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one (CID 154096528) is 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one.
What is the SMILES notation for 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The canonical SMILES for 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one is CC(C)c1cc2c(c(C(C)C)c1)OC(=O)CC2.
What is the InChIKey of 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one?
The InChIKey is ONHSTFRMPBIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-9(2)12-7-11-5-6-14(16)17-15(11)13(8-12)10(3)4/h7-10H,5-6H2,1-4H3.
What are the key properties of 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one?
6,8-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 6,8-di(propan-2-yl)-3,4-dihydrochromen-2-one is sourced from PubChem (CID 154096528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).