5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one

C21H22O7 — CID 15288797

IUPAC5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one
SMILESCOc1ccc(Oc2cc(=O)c3c(OC)c(OC)c(OC(C)C)cc3o2)cc1
InChIInChI=1S/C21H22O7/c1-12(2)26-17-11-16-19(21(25-5)20(17)24-4)15(22)10-18(28-16)27-14-8-6-13(23-3)7-9-14/h6-12H,1-5H3
InChIKeyZKWBAYYHYPWSRQ-UHFFFAOYSA-N
MW386.40 g/mol
LogP4.40
Rot. Bonds7

About 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one

5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one (PubChem CID 15288797) has the molecular formula C21H22O7 and a molecular weight of 386.40 g/mol. Its IUPAC name is 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one.

Molecular Properties

Compound Name5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one
PubChem CID15288797
Molecular FormulaC21H22O7
Molecular Weight386.40 g/mol
Exact Mass386.14
IUPAC Name5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one
SMILESCOc1ccc(Oc2cc(=O)c3c(OC)c(OC)c(OC(C)C)cc3o2)cc1
InChIInChI=1S/C21H22O7/c1-12(2)26-17-11-16-19(21(25-5)20(17)24-4)15(22)10-18(28-16)27-14-8-6-13(23-3)7-9-14/h6-12H,1-5H3
InChIKeyZKWBAYYHYPWSRQ-UHFFFAOYSA-N
XLogP4.40
TPSA76.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one?
The IUPAC name of 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one (CID 15288797) is 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one.
What is the SMILES notation for 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one?
The canonical SMILES for 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one is COc1ccc(Oc2cc(=O)c3c(OC)c(OC)c(OC(C)C)cc3o2)cc1.
What is the InChIKey of 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one?
The InChIKey is ZKWBAYYHYPWSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22O7/c1-12(2)26-17-11-16-19(21(25-5)20(17)24-4)15(22)10-18(28-16)27-14-8-6-13(23-3)7-9-14/h6-12H,1-5H3.
What are the key properties of 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one?
5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one has a molecular weight of 386.40 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-(4-methoxyphenoxy)-7-propan-2-yloxychromen-4-one is sourced from PubChem (CID 15288797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).