5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene

C20H22O5 — CID 132501325

IUPAC5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
SMILESCOc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1
InChIInChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3
InChIKeyMBDIZYMZEDJPEM-UHFFFAOYSA-N
MW342.39 g/mol
LogP3.74
Rot. Bonds6

About 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene

5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene (PubChem CID 132501325) has the molecular formula C20H22O5 and a molecular weight of 342.39 g/mol. Its IUPAC name is 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene.

Molecular Properties

Compound Name5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
PubChem CID132501325
Molecular FormulaC20H22O5
Molecular Weight342.39 g/mol
Exact Mass342.15
IUPAC Name5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
SMILESCOc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1
InChIInChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3
InChIKeyMBDIZYMZEDJPEM-UHFFFAOYSA-N
XLogP3.74
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The IUPAC name of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene (CID 132501325) is 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene.
What is the SMILES notation for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The canonical SMILES for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene is COc1ccc(CC2=Cc3c(cc(OC)c(OC)c3OC)OC2)cc1.
What is the InChIKey of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
The InChIKey is MBDIZYMZEDJPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O5/c1-21-15-7-5-13(6-8-15)9-14-10-16-17(25-12-14)11-18(22-2)20(24-4)19(16)23-3/h5-8,10-11H,9,12H2,1-4H3.
What are the key properties of 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene?
5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene has a molecular weight of 342.39 g/mol, XLogP of 3.74, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene is sourced from PubChem (CID 132501325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).