2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

C19H18O7 — CID 3010100

IUPAC2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC
InChIInChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3
InChIKeyIECRXMSGDFIOEY-UHFFFAOYSA-N
MW358.35 g/mol
LogP3.20
Rot. Bonds5

About 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one (PubChem CID 3010100) has the molecular formula C19H18O7 and a molecular weight of 358.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
PubChem CID3010100
Molecular FormulaC19H18O7
Molecular Weight358.35 g/mol
Exact Mass358.11
IUPAC Name2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one
SMILESCOc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC
InChIInChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3
InChIKeyIECRXMSGDFIOEY-UHFFFAOYSA-N
XLogP3.20
TPSA87.36 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The IUPAC name of 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one (CID 3010100) is 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one.
What is the SMILES notation for 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The canonical SMILES for 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one is COc1c(OC)c(OC)c2c(=O)cc(-c3ccc(O)cc3)oc2c1OC.
What is the InChIKey of 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one?
The InChIKey is IECRXMSGDFIOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O7/c1-22-15-14-12(21)9-13(10-5-7-11(20)8-6-10)26-16(14)18(24-3)19(25-4)17(15)23-2/h5-9,20H,1-4H3.
What are the key properties of 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one?
2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one has a molecular weight of 358.35 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-5,6,7,8-tetramethoxychromen-4-one is sourced from PubChem (CID 3010100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).