7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one

C17H16O2 — CID 169422650

IUPAC7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(-c2ccc3c(c2)OCCC3=O)c(C)c1
InChIInChI=1S/C17H16O2/c1-11-3-5-14(12(2)9-11)13-4-6-15-16(18)7-8-19-17(15)10-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYVHTUMYCUUBZKA-UHFFFAOYSA-N
MW252.31 g/mol
LogP3.94
Rot. Bonds1

About 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one

7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one (PubChem CID 169422650) has the molecular formula C17H16O2 and a molecular weight of 252.31 g/mol. Its IUPAC name is 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
PubChem CID169422650
Molecular FormulaC17H16O2
Molecular Weight252.31 g/mol
Exact Mass252.12
IUPAC Name7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one
SMILESCc1ccc(-c2ccc3c(c2)OCCC3=O)c(C)c1
InChIInChI=1S/C17H16O2/c1-11-3-5-14(12(2)9-11)13-4-6-15-16(18)7-8-19-17(15)10-13/h3-6,9-10H,7-8H2,1-2H3
InChIKeyYVHTUMYCUUBZKA-UHFFFAOYSA-N
XLogP3.94
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 ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Flavanone
CID 10251
Flavone
CID 10680
Beta-Naphthoflavone
CID 2361
5,6-Dimethylxanthenone-4-Acetic Acid
CID 123964
Xanthone
CID 7020
Isoflavone
CID 72304
Alpha-Naphthoflavone
CID 11790
6-Methoxyflavone
CID 147157
Cra 13
CID 9799417
Chromanone
CID 68110
(+)-Eleutherin
CID 10166
3-Hydroxy-3'-methoxyflavone
CID 676296

Frequently Asked Questions

What is the IUPAC name of 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one?
The IUPAC name of 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one (CID 169422650) is 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one.
What is the SMILES notation for 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one?
The canonical SMILES for 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one is Cc1ccc(-c2ccc3c(c2)OCCC3=O)c(C)c1.
What is the InChIKey of 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one?
The InChIKey is YVHTUMYCUUBZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O2/c1-11-3-5-14(12(2)9-11)13-4-6-15-16(18)7-8-19-17(15)10-13/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one?
7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one has a molecular weight of 252.31 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,4-dimethylphenyl)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 169422650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).