3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran

C19H16O2 — CID 14065014

IUPAC3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran
SMILESCOC1(c2ccccc2)OCc2cc3ccccc3cc21
InChIInChI=1S/C19H16O2/c1-20-19(17-9-3-2-4-10-17)18-12-15-8-6-5-7-14(15)11-16(18)13-21-19/h2-12H,13H2,1H3
InChIKeyCOXNDLDXBHUSLA-UHFFFAOYSA-N
MW276.33 g/mol
LogP4.22
Rot. Bonds2

About 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran

3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran (PubChem CID 14065014) has the molecular formula C19H16O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran.

Molecular Properties

Compound Name3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran
PubChem CID14065014
Molecular FormulaC19H16O2
Molecular Weight276.33 g/mol
Exact Mass276.12
IUPAC Name3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran
SMILESCOC1(c2ccccc2)OCc2cc3ccccc3cc21
InChIInChI=1S/C19H16O2/c1-20-19(17-9-3-2-4-10-17)18-12-15-8-6-5-7-14(15)11-16(18)13-21-19/h2-12H,13H2,1H3
InChIKeyCOXNDLDXBHUSLA-UHFFFAOYSA-N
XLogP4.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methoxy-2-phenylbenzo[f][1,3]benzodioxole
CID 4146628
(3S)-3-methoxy-3-phenyl-2-benzofuran-1-one
CID 1224663
3,3-diphenyl-1H-2-benzofuran
CID 571068
1,3-dihydrobenzo[f][2]benzofuran
CID 15555103
(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)-dimethoxysilane
CID 164815992
(1S,2R,4R,5R,16S,17S,19S,20R)-1,5,16,20-tetraphenyl-31,32-dioxanonacyclo[18.10.1.15,16.02,19.04,17.06,15.08,13.021,30.023,28]dotriaconta-6,8,10,12,14,21,23,25,27,29-decaene-3,18-dione
CID 102353746
2,2-dimethyloxirane;naphthalene
CID 175358693
1H-cyclopropa[b]naphthalene;ethane
CID 144907572
5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
CID 15341678
3-[(2,2-diphenyl-4H-1,3-benzodioxin-6-yl)oxy]propyl-trimethoxysilane
CID 164816375
(7S,8R)-7,8-dimethoxy-7,8-diphenylbicyclo[4.2.0]octa-1,3,5-triene
CID 10591514
10,10,11,11-tetramethylpentacyclo[10.7.1.02,7.09,20.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
CID 140684072

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran?
The IUPAC name of 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran (CID 14065014) is 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran.
What is the SMILES notation for 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran?
The canonical SMILES for 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran is COC1(c2ccccc2)OCc2cc3ccccc3cc21.
What is the InChIKey of 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran?
The InChIKey is COXNDLDXBHUSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2/c1-20-19(17-9-3-2-4-10-17)18-12-15-8-6-5-7-14(15)11-16(18)13-21-19/h2-12H,13H2,1H3.
What are the key properties of 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran?
3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran has a molecular weight of 276.33 g/mol, XLogP of 4.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-phenyl-1H-benzo[f][2]benzofuran is sourced from PubChem (CID 14065014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).