7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one

C17H16O2 — CID 2850142

IUPAC7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1C)OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-11-8-9-14-15(13-6-4-3-5-7-13)10-16(18)19-17(14)12(11)2/h3-9,15H,10H2,1-2H3
InChIKeyOCOQOKDTOOUSDB-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.74
Rot. Bonds1

About 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one

7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one (PubChem CID 2850142) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
PubChem CID2850142
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one
SMILESCc1ccc2c(c1C)OC(=O)CC2c1ccccc1
InChIInChI=1S/C17H16O2/c1-11-8-9-14-15(13-6-4-3-5-7-13)10-16(18)19-17(14)12(11)2/h3-9,15H,10H2,1-2H3
InChIKeyOCOQOKDTOOUSDB-UHFFFAOYSA-N
XLogP3.74
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 53.74
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 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The IUPAC name of 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one (CID 2850142) is 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one is Cc1ccc2c(c1C)OC(=O)CC2c1ccccc1.
What is the InChIKey of 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
The InChIKey is OCOQOKDTOOUSDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-8-9-14-15(13-6-4-3-5-7-13)10-16(18)19-17(14)12(11)2/h3-9,15H,10H2,1-2H3.
What are the key properties of 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one?
7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one has a molecular weight of 252.31 g/mol, XLogP of 3.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethyl-4-phenyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 2850142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).