6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene

C24H22O4 — CID 118726859

IUPAC6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1cc(C2=CCOc3ccc(-c4ccccc4)cc32)cc(OC)c1OC
InChIInChI=1S/C24H22O4/c1-25-22-14-18(15-23(26-2)24(22)27-3)19-11-12-28-21-10-9-17(13-20(19)21)16-7-5-4-6-8-16/h4-11,13-15H,12H2,1-3H3
InChIKeyZUVBEQREOYUQTM-UHFFFAOYSA-N
MW374.44 g/mol
LogP5.20
Rot. Bonds5

About 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene

6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene (PubChem CID 118726859) has the molecular formula C24H22O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene.

Molecular Properties

Compound Name6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
PubChem CID118726859
Molecular FormulaC24H22O4
Molecular Weight374.44 g/mol
Exact Mass374.15
IUPAC Name6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene
SMILESCOc1cc(C2=CCOc3ccc(-c4ccccc4)cc32)cc(OC)c1OC
InChIInChI=1S/C24H22O4/c1-25-22-14-18(15-23(26-2)24(22)27-3)19-11-12-28-21-10-9-17(13-20(19)21)16-7-5-4-6-8-16/h4-11,13-15H,12H2,1-3H3
InChIKeyZUVBEQREOYUQTM-UHFFFAOYSA-N
XLogP5.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.44
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The IUPAC name of 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene (CID 118726859) is 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene.
What is the SMILES notation for 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The canonical SMILES for 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene is COc1cc(C2=CCOc3ccc(-c4ccccc4)cc32)cc(OC)c1OC.
What is the InChIKey of 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
The InChIKey is ZUVBEQREOYUQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O4/c1-25-22-14-18(15-23(26-2)24(22)27-3)19-11-12-28-21-10-9-17(13-20(19)21)16-7-5-4-6-8-16/h4-11,13-15H,12H2,1-3H3.
What are the key properties of 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene?
6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene has a molecular weight of 374.44 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-4-(3,4,5-trimethoxyphenyl)-2H-chromene is sourced from PubChem (CID 118726859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).