2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene

C18H18O4 — CID 13410559

IUPAC2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene
SMILESCOc1ccc(C2=Cc3cccc(OC)c3OC2OC)cc1
InChIInChI=1S/C18H18O4/c1-19-14-9-7-12(8-10-14)15-11-13-5-4-6-16(20-2)17(13)22-18(15)21-3/h4-11,18H,1-3H3
InChIKeyZHNSDYQOMGWLOX-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.61
Rot. Bonds4

About 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene

2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene (PubChem CID 13410559) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene
PubChem CID13410559
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene
SMILESCOc1ccc(C2=Cc3cccc(OC)c3OC2OC)cc1
InChIInChI=1S/C18H18O4/c1-19-14-9-7-12(8-10-14)15-11-13-5-4-6-16(20-2)17(13)22-18(15)21-3/h4-11,18H,1-3H3
InChIKeyZHNSDYQOMGWLOX-UHFFFAOYSA-N
XLogP3.61
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene?
The IUPAC name of 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene (CID 13410559) is 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene.
What is the SMILES notation for 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene?
The canonical SMILES for 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene is COc1ccc(C2=Cc3cccc(OC)c3OC2OC)cc1.
What is the InChIKey of 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene?
The InChIKey is ZHNSDYQOMGWLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-19-14-9-7-12(8-10-14)15-11-13-5-4-6-16(20-2)17(13)22-18(15)21-3/h4-11,18H,1-3H3.
What are the key properties of 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene?
2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene has a molecular weight of 298.34 g/mol, XLogP of 3.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dimethoxy-3-(4-methoxyphenyl)-2H-chromene is sourced from PubChem (CID 13410559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).