5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one

C17H14O5 — CID 637048

IUPAC5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one
SMILESCc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3
InChIKeyVSEIMGCATUFLSE-UHFFFAOYSA-N
MW298.29 g/mol
LogP3.19
Rot. Bonds1

About 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one

5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one (PubChem CID 637048) has the molecular formula C17H14O5 and a molecular weight of 298.29 g/mol. Its IUPAC name is 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one.

Molecular Properties

Compound Name5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one
PubChem CID637048
Molecular FormulaC17H14O5
Molecular Weight298.29 g/mol
Exact Mass298.08
IUPAC Name5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one
SMILESCc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O
InChIInChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3
InChIKeyVSEIMGCATUFLSE-UHFFFAOYSA-N
XLogP3.19
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one?
The IUPAC name of 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one (CID 637048) is 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one.
What is the SMILES notation for 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one?
The canonical SMILES for 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one is Cc1c(O)c(C)c2occ(-c3ccc(O)cc3)c(=O)c2c1O.
What is the InChIKey of 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one?
The InChIKey is VSEIMGCATUFLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O5/c1-8-14(19)9(2)17-13(15(8)20)16(21)12(7-22-17)10-3-5-11(18)6-4-10/h3-7,18-20H,1-2H3.
What are the key properties of 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one?
5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one has a molecular weight of 298.29 g/mol, XLogP of 3.19, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-3-(4-hydroxyphenyl)-6,8-dimethylchromen-4-one is sourced from PubChem (CID 637048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).