3,3-diphenyl-1H-2-benzofuran

C20H16O — CID 571068

IUPAC3,3-diphenyl-1H-2-benzofuran
SMILESc1ccc(C2(c3ccccc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2
InChIKeyWCVJCIOXWMPICT-UHFFFAOYSA-N
MW272.35 g/mol
LogP4.51
Rot. Bonds2

About 3,3-diphenyl-1H-2-benzofuran

3,3-diphenyl-1H-2-benzofuran (PubChem CID 571068) has the molecular formula C20H16O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3,3-diphenyl-1H-2-benzofuran.

Molecular Properties

Compound Name3,3-diphenyl-1H-2-benzofuran
PubChem CID571068
Molecular FormulaC20H16O
Molecular Weight272.35 g/mol
Exact Mass272.12
IUPAC Name3,3-diphenyl-1H-2-benzofuran
SMILESc1ccc(C2(c3ccccc3)OCc3ccccc32)cc1
InChIInChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2
InChIKeyWCVJCIOXWMPICT-UHFFFAOYSA-N
XLogP4.51
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[4-[1-(4-phosphonooxyphenyl)-3H-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
CID 170845243
spiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 21240933
1-fluoro-3H-2-benzofuran-1-carboxylic acid
CID 70573707
4',5'-dichlorospiro[1H-2-benzofuran-3,9'-xanthene]-3',6'-diol
CID 66813638
trimethyl-(1-methyl-3H-2-benzofuran-1-yl)silane
CID 11267868
trimethyl-[(1R)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 12997112
trimethyl-[(1S)-1-methyl-3H-2-benzofuran-1-yl]silane
CID 101240367
spiro[1H-2-benzofuran-3,9'-xanthene]-5-carboxylic acid
CID 151870020
1'-phenylspiro[1H-2-benzofuran-3,4'-piperidine]
CID 86733482
3',3'-dimethylspiro[1H-2-benzofuran-3,16'-9,23-diazaheptacyclo[17.7.1.15,9.02,17.04,15.023,27.013,28]octacosa-1(27),2(17),4(15),5(28),13,18-hexaene]
CID 166808896
ethane;spiro[1H-2-benzofuran-3,4'-piperidine]
CID 163403209
(2S,4S)-4-phenylspiro[1,3-oxathiolane-2,3'-1H-2-benzofuran]
CID 101358355

Frequently Asked Questions

What is the IUPAC name of 3,3-diphenyl-1H-2-benzofuran?
The IUPAC name of 3,3-diphenyl-1H-2-benzofuran (CID 571068) is 3,3-diphenyl-1H-2-benzofuran.
What is the SMILES notation for 3,3-diphenyl-1H-2-benzofuran?
The canonical SMILES for 3,3-diphenyl-1H-2-benzofuran is c1ccc(C2(c3ccccc3)OCc3ccccc32)cc1.
What is the InChIKey of 3,3-diphenyl-1H-2-benzofuran?
The InChIKey is WCVJCIOXWMPICT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O/c1-3-10-17(11-4-1)20(18-12-5-2-6-13-18)19-14-8-7-9-16(19)15-21-20/h1-14H,15H2.
What are the key properties of 3,3-diphenyl-1H-2-benzofuran?
3,3-diphenyl-1H-2-benzofuran has a molecular weight of 272.35 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diphenyl-1H-2-benzofuran is sourced from PubChem (CID 571068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).