2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one

C18H16O6 — CID 172643077

IUPAC2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
SMILESCOc1cccc(-c2oc3cccc(OC)c3c(=O)c2O)c1OC
InChIInChI=1S/C18H16O6/c1-21-11-7-5-8-12-14(11)15(19)16(20)18(24-12)10-6-4-9-13(22-2)17(10)23-3/h4-9,20H,1-3H3
InChIKeyFTEWBEHOLYGMBM-UHFFFAOYSA-N
MW328.32 g/mol
LogP3.19
Rot. Bonds4

About 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one

2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one (PubChem CID 172643077) has the molecular formula C18H16O6 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
PubChem CID172643077
Molecular FormulaC18H16O6
Molecular Weight328.32 g/mol
Exact Mass328.09
IUPAC Name2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one
SMILESCOc1cccc(-c2oc3cccc(OC)c3c(=O)c2O)c1OC
InChIInChI=1S/C18H16O6/c1-21-11-7-5-8-12-14(11)15(19)16(20)18(24-12)10-6-4-9-13(22-2)17(10)23-3/h4-9,20H,1-3H3
InChIKeyFTEWBEHOLYGMBM-UHFFFAOYSA-N
XLogP3.19
TPSA78.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5,6-trihydroxy-2-(2-methoxyphenyl)chromen-4-one
CID 175305896
3,5-dihydroxy-2-(3-hydroxy-2-methoxyphenyl)-7-methoxychromen-4-one
CID 11012936
1-hydroxy-3,4,8-trimethoxyxanthen-9-one
CID 162882586
7-hydroxy-1-methoxyxanthen-9-one
CID 10490332
2-(5-bromo-2,3-dimethoxyphenyl)-3-hydroxychromen-4-one
CID 71735018
3-methoxy-2-(2-methoxyphenyl)chromen-4-one
CID 676169
3,4,5-trimethoxychromen-2-one
CID 19930053
6-[2-(2,3-dimethoxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
CID 154700123
1-hydroxy-10-methoxybenzo[c][1]benzoxepine-6,11-dione
CID 139586019
2-(2,4-dihydroxy-5-methoxyphenyl)-3,5,7-trihydroxy-8-methoxychromen-4-one
CID 163060449
2-(2,3-dimethoxyphenyl)-7-hydroxychromen-4-one
CID 127031650
3-hydroxy-2-(2-methoxy-5-methylphenyl)chromen-4-one
CID 71733634

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one (CID 172643077) is 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one is COc1cccc(-c2oc3cccc(OC)c3c(=O)c2O)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one?
The InChIKey is FTEWBEHOLYGMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O6/c1-21-11-7-5-8-12-14(11)15(19)16(20)18(24-12)10-6-4-9-13(22-2)17(10)23-3/h4-9,20H,1-3H3.
What are the key properties of 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one?
2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one has a molecular weight of 328.32 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-3-hydroxy-5-methoxychromen-4-one is sourced from PubChem (CID 172643077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).