8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene

C19H19BrO5 — CID 57379431

IUPAC8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1ccc2c(c1Br)OCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19BrO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8H2,1-4H3
InChIKeyXVBOLLLFUAFMHU-UHFFFAOYSA-N
MW407.26 g/mol
LogP4.31
Rot. Bonds5

About 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene

8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene (PubChem CID 57379431) has the molecular formula C19H19BrO5 and a molecular weight of 407.26 g/mol. Its IUPAC name is 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene
PubChem CID57379431
Molecular FormulaC19H19BrO5
Molecular Weight407.26 g/mol
Exact Mass406.04
IUPAC Name8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1ccc2c(c1Br)OCC=C2c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C19H19BrO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8H2,1-4H3
InChIKeyXVBOLLLFUAFMHU-UHFFFAOYSA-N
XLogP4.31
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.26
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The IUPAC name of 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene (CID 57379431) is 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene.
What is the SMILES notation for 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The canonical SMILES for 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene is COc1ccc2c(c1Br)OCC=C2c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The InChIKey is XVBOLLLFUAFMHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrO5/c1-21-14-6-5-13-12(7-8-25-18(13)17(14)20)11-9-15(22-2)19(24-4)16(10-11)23-3/h5-7,9-10H,8H2,1-4H3.
What are the key properties of 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene has a molecular weight of 407.26 g/mol, XLogP of 4.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-7-methoxy-4-(3,4,5-trimethoxyphenyl)-2H-chromene is sourced from PubChem (CID 57379431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).