2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one

C18H15ClO7 — CID 5281606

IUPAC2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC
InChIInChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3
InChIKeyJLSQXYITDXJTKL-UHFFFAOYSA-N
MW378.76 g/mol
LogP3.55
Rot. Bonds4

About 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one

2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one (PubChem CID 5281606) has the molecular formula C18H15ClO7 and a molecular weight of 378.76 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
PubChem CID5281606
Molecular FormulaC18H15ClO7
Molecular Weight378.76 g/mol
Exact Mass378.05
IUPAC Name2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one
SMILESCOc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC
InChIInChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3
InChIKeyJLSQXYITDXJTKL-UHFFFAOYSA-N
XLogP3.55
TPSA98.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.76
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one?
The IUPAC name of 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one (CID 5281606) is 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one.
What is the SMILES notation for 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one?
The canonical SMILES for 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one is COc1cc(O)c2c(=O)c(OC)c(-c3cccc(Cl)c3O)oc2c1OC.
What is the InChIKey of 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one?
The InChIKey is JLSQXYITDXJTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClO7/c1-23-11-7-10(20)12-14(22)18(25-3)15(26-17(12)16(11)24-2)8-5-4-6-9(19)13(8)21/h4-7,20-21H,1-3H3.
What are the key properties of 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one?
2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one has a molecular weight of 378.76 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxyphenyl)-5-hydroxy-3,7,8-trimethoxychromen-4-one is sourced from PubChem (CID 5281606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).