5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one

C17H16O5 — CID 70402888

IUPAC5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one
SMILESCc1c(O)c(C)c2c(c1O)CC(=O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C17H16O5/c1-8-14(20)9(2)16-12(15(8)21)7-13(19)17(22-16)10-3-5-11(18)6-4-10/h3-6,17-18,20-21H,7H2,1-2H3
InChIKeyREOVPKWAAXXCDG-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.67
Rot. Bonds1

About 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one (PubChem CID 70402888) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one.

Molecular Properties

Compound Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one
PubChem CID70402888
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one
SMILESCc1c(O)c(C)c2c(c1O)CC(=O)C(c1ccc(O)cc1)O2
InChIInChI=1S/C17H16O5/c1-8-14(20)9(2)16-12(15(8)21)7-13(19)17(22-16)10-3-5-11(18)6-4-10/h3-6,17-18,20-21H,7H2,1-2H3
InChIKeyREOVPKWAAXXCDG-UHFFFAOYSA-N
XLogP2.67
TPSA86.99 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one?
The IUPAC name of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one (CID 70402888) is 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one.
What is the SMILES notation for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one?
The canonical SMILES for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one is Cc1c(O)c(C)c2c(c1O)CC(=O)C(c1ccc(O)cc1)O2.
What is the InChIKey of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one?
The InChIKey is REOVPKWAAXXCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-8-14(20)9(2)16-12(15(8)21)7-13(19)17(22-16)10-3-5-11(18)6-4-10/h3-6,17-18,20-21H,7H2,1-2H3.
What are the key properties of 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one?
5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one has a molecular weight of 300.31 g/mol, XLogP of 2.67, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one is sourced from PubChem (CID 70402888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).