2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one

C17H16O5 — CID 175369742

IUPAC2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one
SMILESCc1cc(O)c2c(c1C)OC(c1c(O)cccc1O)C(=O)C2
InChIInChI=1S/C17H16O5/c1-8-6-13(20)10-7-14(21)17(22-16(10)9(8)2)15-11(18)4-3-5-12(15)19/h3-6,17-20H,7H2,1-2H3
InChIKeyHOUIBGQWOOCYDD-UHFFFAOYSA-N
MW300.31 g/mol
LogP2.67
Rot. Bonds1

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

2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one (PubChem CID 175369742) has the molecular formula C17H16O5 and a molecular weight of 300.31 g/mol. Its IUPAC name is 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one.

Molecular Properties

Compound Name2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one
PubChem CID175369742
Molecular FormulaC17H16O5
Molecular Weight300.31 g/mol
Exact Mass300.10
IUPAC Name2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one
SMILESCc1cc(O)c2c(c1C)OC(c1c(O)cccc1O)C(=O)C2
InChIInChI=1S/C17H16O5/c1-8-6-13(20)10-7-14(21)17(22-16(10)9(8)2)15-11(18)4-3-5-12(15)19/h3-6,17-20H,7H2,1-2H3
InChIKeyHOUIBGQWOOCYDD-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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Related Compounds

5,7-dihydroxy-2-(4-hydroxyphenyl)-6,8-dimethyl-4H-chromen-3-one
CID 70402888
5,7-dihydroxy-8-methoxy-2-phenyl-4H-chromen-3-one
CID 118870812
5-hydroxy-7-methoxy-6,8-dimethyl-2-phenyl-4H-chromen-3-one
CID 66762480
(3R)-3-(2,6-dihydroxyphenyl)-7-hydroxy-5-methyl-3H-2-benzofuran-1-one
CID 162869427
(2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-3-one
CID 70318924
5-hydroxy-2-(4-hydroxy-3-methylphenyl)-2,3-dihydrochromen-4-one
CID 71083960
2-(3,4-dimethoxyphenyl)-5-hydroxy-6,7,8-trimethoxy-4H-chromen-3-one
CID 68923901
2-(6-hydroxy-2,3,4-trimethylphenyl)benzene-1,3-diol
CID 101299632
3-hydroxy-1,4,7,9,10-pentamethylbenzo[b][1,4]benzodioxepin-6-one
CID 90322823
(2R)-7-hydroxy-2,6,8-trimethyl-2,3-dihydrochromen-4-one
CID 52953388
7-methyl-4-phenyl-1,3-dihydro-2-benzofuran-5-ol
CID 138973700
3-methyl-2-(oxan-4-yl)phenol
CID 117104365

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one?
The IUPAC name of 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one (CID 175369742) is 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one.
What is the SMILES notation for 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one?
The canonical SMILES for 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one is Cc1cc(O)c2c(c1C)OC(c1c(O)cccc1O)C(=O)C2.
What is the InChIKey of 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one?
The InChIKey is HOUIBGQWOOCYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16O5/c1-8-6-13(20)10-7-14(21)17(22-16(10)9(8)2)15-11(18)4-3-5-12(15)19/h3-6,17-20H,7H2,1-2H3.
What are the key properties of 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one?
2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-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 2-(2,6-dihydroxyphenyl)-5-hydroxy-7,8-dimethyl-4H-chromen-3-one is sourced from PubChem (CID 175369742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).