2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one

C18H16O4 — CID 28811779

IUPAC2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(C)c(C)cc3o2)ccc1O
InChIInChI=1S/C18H16O4/c1-10-6-13-15(20)9-16(22-17(13)7-11(10)2)12-4-5-14(19)18(8-12)21-3/h4-9,19H,1-3H3
InChIKeyOFMUPBOPFQVESP-UHFFFAOYSA-N
MW296.32 g/mol
LogP3.79
Rot. Bonds2

About 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one

2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one (PubChem CID 28811779) has the molecular formula C18H16O4 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
PubChem CID28811779
Molecular FormulaC18H16O4
Molecular Weight296.32 g/mol
Exact Mass296.10
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one
SMILESCOc1cc(-c2cc(=O)c3cc(C)c(C)cc3o2)ccc1O
InChIInChI=1S/C18H16O4/c1-10-6-13-15(20)9-16(22-17(13)7-11(10)2)12-4-5-14(19)18(8-12)21-3/h4-9,19H,1-3H3
InChIKeyOFMUPBOPFQVESP-UHFFFAOYSA-N
XLogP3.79
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one (CID 28811779) is 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one is COc1cc(-c2cc(=O)c3cc(C)c(C)cc3o2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
The InChIKey is OFMUPBOPFQVESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O4/c1-10-6-13-15(20)9-16(22-17(13)7-11(10)2)12-4-5-14(19)18(8-12)21-3/h4-9,19H,1-3H3.
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one?
2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one has a molecular weight of 296.32 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-6,7-dimethylchromen-4-one is sourced from PubChem (CID 28811779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).