7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one

C18H16O5 — CID 122685038

IUPAC7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
SMILESCOCc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12
InChIInChI=1S/C18H16O5/c1-21-9-14-15(19)8-7-12-17(20)13(10-23-18(12)14)11-5-3-4-6-16(11)22-2/h3-8,10,19H,9H2,1-2H3
InChIKeyJPJKTQKQOOBMAI-UHFFFAOYSA-N
MW312.32 g/mol
LogP3.32
Rot. Bonds4

About 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one

7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one (PubChem CID 122685038) has the molecular formula C18H16O5 and a molecular weight of 312.32 g/mol. Its IUPAC name is 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one.

Molecular Properties

Compound Name7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
PubChem CID122685038
Molecular FormulaC18H16O5
Molecular Weight312.32 g/mol
Exact Mass312.10
IUPAC Name7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
SMILESCOCc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12
InChIInChI=1S/C18H16O5/c1-21-9-14-15(19)8-7-12-17(20)13(10-23-18(12)14)11-5-3-4-6-16(11)22-2/h3-8,10,19H,9H2,1-2H3
InChIKeyJPJKTQKQOOBMAI-UHFFFAOYSA-N
XLogP3.32
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5439005
cyclohexyl-[[7-hydroxy-3-(2-methoxyphenyl)-4-oxochromen-8-yl]methyl]-methylazanium
CID 6244446
7-hydroxy-8-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(2-methoxyphenyl)chromen-4-one
CID 5389856
8-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]-7-hydroxy-3-(2-methoxyphenyl)chromen-4-one
CID 5449000
7-hydroxy-3-(2-methoxyphenyl)-8-[[(2R)-2-methylpiperidin-1-ium-1-yl]methyl]chromen-4-one
CID 6964648
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
CID 142746801
8-(diethylaminomethyl)-7-hydroxy-3-phenylchromen-4-one;hydrochloride
CID 24746917
8-[[benzyl(methyl)amino]methyl]-3-(2-chlorophenyl)-7-hydroxychromen-4-one
CID 5446900
3-(2-methoxyphenyl)-7-[(2,3,4,5,6-pentafluorophenyl)methoxy]chromen-4-one
CID 2038118
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
7-hydroxy-3-(4-methoxyphenyl)-8-(piperidin-1-ylmethyl)chromen-4-one
CID 6052176
3-(2-chlorophenyl)-7-hydroxy-8-(piperidin-1-ium-1-ylmethyl)chromen-4-one
CID 6257224

Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one?
The IUPAC name of 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one (CID 122685038) is 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one.
What is the SMILES notation for 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one?
The canonical SMILES for 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one is COCc1c(O)ccc2c(=O)c(-c3ccccc3OC)coc12.
What is the InChIKey of 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one?
The InChIKey is JPJKTQKQOOBMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16O5/c1-21-9-14-15(19)8-7-12-17(20)13(10-23-18(12)14)11-5-3-4-6-16(11)22-2/h3-8,10,19H,9H2,1-2H3.
What are the key properties of 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one?
7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one is sourced from PubChem (CID 122685038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).