3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride

C17H15ClO7 — CID 131675941

IUPAC3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride
SMILESCOc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(OC)c1O.Cl
InChIInChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7,19-21H,1-2H3;1H
InChIKeyRMHCPEGSVIMEGX-UHFFFAOYSA-N
MW366.75 g/mol
LogP2.97
Rot. Bonds3

About 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride

3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride (PubChem CID 131675941) has the molecular formula C17H15ClO7 and a molecular weight of 366.75 g/mol. Its IUPAC name is 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride.

Molecular Properties

Compound Name3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride
PubChem CID131675941
Molecular FormulaC17H15ClO7
Molecular Weight366.75 g/mol
Exact Mass366.05
IUPAC Name3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride
SMILESCOc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(OC)c1O.Cl
InChIInChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7,19-21H,1-2H3;1H
InChIKeyRMHCPEGSVIMEGX-UHFFFAOYSA-N
XLogP2.97
TPSA109.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.75
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride?
The IUPAC name of 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride (CID 131675941) is 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride.
What is the SMILES notation for 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride?
The canonical SMILES for 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride is COc1cc(-c2oc3cc(=O)cc(O)c-3cc2O)cc(OC)c1O.Cl.
What is the InChIKey of 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride?
The InChIKey is RMHCPEGSVIMEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O7.ClH/c1-22-14-3-8(4-15(23-2)16(14)21)17-12(20)7-10-11(19)5-9(18)6-13(10)24-17;/h3-7,19-21H,1-2H3;1H.
What are the key properties of 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride?
3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride has a molecular weight of 366.75 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromen-7-one;hydrochloride is sourced from PubChem (CID 131675941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).