5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one

C17H16O2 — CID 10015092

IUPAC5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc(C)c2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O2/c1-11-8-12(2)17-14(18)10-15(19-16(17)9-11)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3
InChIKeyFGUBFGWYEYFGRK-UHFFFAOYSA-N
MW252.31 g/mol
LogP4.01
Rot. Bonds1

About 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one

5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one (PubChem CID 10015092) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
PubChem CID10015092
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one
SMILESCc1cc(C)c2c(c1)OC(c1ccccc1)CC2=O
InChIInChI=1S/C17H16O2/c1-11-8-12(2)17-14(18)10-15(19-16(17)9-11)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3
InChIKeyFGUBFGWYEYFGRK-UHFFFAOYSA-N
XLogP4.01
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 ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one?
The IUPAC name of 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one (CID 10015092) is 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one.
What is the SMILES notation for 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one?
The canonical SMILES for 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one is Cc1cc(C)c2c(c1)OC(c1ccccc1)CC2=O.
What is the InChIKey of 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one?
The InChIKey is FGUBFGWYEYFGRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-8-12(2)17-14(18)10-15(19-16(17)9-11)13-6-4-3-5-7-13/h3-9,15H,10H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one?
5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one has a molecular weight of 252.31 g/mol, XLogP of 4.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-phenyl-2,3-dihydrochromen-4-one is sourced from PubChem (CID 10015092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).