2-methoxy-3,3-diphenylbenzo[f]chromene

C26H20O2 — CID 69344279

IUPAC2-methoxy-3,3-diphenylbenzo[f]chromene
SMILESCOC1=Cc2c(ccc3ccccc23)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c1-27-25-18-23-22-15-9-8-10-19(22)16-17-24(23)28-26(25,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-18H,1H3
InChIKeyAXIGXQGMOXMVPU-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.16
Rot. Bonds3

About 2-methoxy-3,3-diphenylbenzo[f]chromene

2-methoxy-3,3-diphenylbenzo[f]chromene (PubChem CID 69344279) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-methoxy-3,3-diphenylbenzo[f]chromene.

Molecular Properties

Compound Name2-methoxy-3,3-diphenylbenzo[f]chromene
PubChem CID69344279
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-methoxy-3,3-diphenylbenzo[f]chromene
SMILESCOC1=Cc2c(ccc3ccccc23)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C26H20O2/c1-27-25-18-23-22-15-9-8-10-19(22)16-17-24(23)28-26(25,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-18H,1H3
InChIKeyAXIGXQGMOXMVPU-UHFFFAOYSA-N
XLogP6.16
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3,3-diphenylbenzo[f]chromene?
The IUPAC name of 2-methoxy-3,3-diphenylbenzo[f]chromene (CID 69344279) is 2-methoxy-3,3-diphenylbenzo[f]chromene.
What is the SMILES notation for 2-methoxy-3,3-diphenylbenzo[f]chromene?
The canonical SMILES for 2-methoxy-3,3-diphenylbenzo[f]chromene is COC1=Cc2c(ccc3ccccc23)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methoxy-3,3-diphenylbenzo[f]chromene?
The InChIKey is AXIGXQGMOXMVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-27-25-18-23-22-15-9-8-10-19(22)16-17-24(23)28-26(25,20-11-4-2-5-12-20)21-13-6-3-7-14-21/h2-18H,1H3.
What are the key properties of 2-methoxy-3,3-diphenylbenzo[f]chromene?
2-methoxy-3,3-diphenylbenzo[f]chromene has a molecular weight of 364.44 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3,3-diphenylbenzo[f]chromene is sourced from PubChem (CID 69344279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).