3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one

C17H14O6 — CID 142746801

IUPAC3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cc(O)ccc3O)coc2c1OC
InChIInChI=1S/C17H14O6/c1-21-14-6-4-10-15(20)12(8-23-16(10)17(14)22-2)11-7-9(18)3-5-13(11)19/h3-8,18-19H,1-2H3
InChIKeyCAPNCCAKVCZQPU-UHFFFAOYSA-N
MW314.29 g/mol
LogP2.89
Rot. Bonds3

About 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one

3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one (PubChem CID 142746801) has the molecular formula C17H14O6 and a molecular weight of 314.29 g/mol. Its IUPAC name is 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one.

Molecular Properties

Compound Name3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
PubChem CID142746801
Molecular FormulaC17H14O6
Molecular Weight314.29 g/mol
Exact Mass314.08
IUPAC Name3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one
SMILESCOc1ccc2c(=O)c(-c3cc(O)ccc3O)coc2c1OC
InChIInChI=1S/C17H14O6/c1-21-14-6-4-10-15(20)12(8-23-16(10)17(14)22-2)11-7-9(18)3-5-13(11)19/h3-8,18-19H,1-2H3
InChIKeyCAPNCCAKVCZQPU-UHFFFAOYSA-N
XLogP2.89
TPSA89.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.29
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

3-(3,4-dimethoxyphenyl)-7,8-dimethoxychromen-4-one
CID 638205
4-(7,8-dimethoxy-4-oxochromen-3-yl)-3-methoxybenzoic acid
CID 21270150
7-hydroxy-8-(methoxymethyl)-3-(2-methoxyphenyl)chromen-4-one
CID 122685038
CID 170734664
CID 170734664
2-[4-(7,8-dimethoxy-4-oxochromen-3-yl)phenoxy]acetic acid
CID 54135854
7,8-dimethoxy-3-(2-methyl-1,3-thiazol-4-yl)chromen-4-one
CID 740724
methyl (3S)-3-[7-hydroxy-3-(4-hydroxyphenyl)-4-oxochromen-8-yl]-3-(2,3,4-trimethoxyphenyl)propanoate
CID 97424179
3-[3-(10-fluorodecyl)phenyl]-7,8-dimethoxychromen-4-one
CID 170734650
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
3-(2,4-dihydroxyphenyl)-5-hydroxy-6,7-dimethoxychromen-4-one
CID 162855951
5-hydroxy-7,8-dimethoxy-3-(4-methoxyphenyl)chromen-4-one
CID 6708795
1,2-dihydroxy-5,6-dimethoxyxanthen-9-one
CID 10016947

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one?
The IUPAC name of 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one (CID 142746801) is 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one.
What is the SMILES notation for 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one?
The canonical SMILES for 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one is COc1ccc2c(=O)c(-c3cc(O)ccc3O)coc2c1OC.
What is the InChIKey of 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one?
The InChIKey is CAPNCCAKVCZQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6/c1-21-14-6-4-10-15(20)12(8-23-16(10)17(14)22-2)11-7-9(18)3-5-13(11)19/h3-8,18-19H,1-2H3.
What are the key properties of 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one?
3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one has a molecular weight of 314.29 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dihydroxyphenyl)-7,8-dimethoxychromen-4-one is sourced from PubChem (CID 142746801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).