3-benzhydryl-1-benzofuran

C21H16O — CID 53493031

IUPAC3-benzhydryl-1-benzofuran
SMILESc1ccc(C(c2ccccc2)c2coc3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20/h1-15,21H
InChIKeyKIJAMHRXEOKKSF-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.61
Rot. Bonds3

About 3-benzhydryl-1-benzofuran

3-benzhydryl-1-benzofuran (PubChem CID 53493031) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-benzhydryl-1-benzofuran.

Molecular Properties

Compound Name3-benzhydryl-1-benzofuran
PubChem CID53493031
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name3-benzhydryl-1-benzofuran
SMILESc1ccc(C(c2ccccc2)c2coc3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20/h1-15,21H
InChIKeyKIJAMHRXEOKKSF-UHFFFAOYSA-N
XLogP5.61
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1-benzofuran-3-yl)-N,N-dimethylethanamine
CID 116914687
1-benzofuran-3-yl(chloro)methanamine
CID 116947842
[(R)-1-benzofuran-3-yl(phenyl)methyl]urea
CID 871475
3-[amino(1-benzofuran-3-yl)methyl]aniline
CID 116936632
lithium;3-(1-fluoroethyl)-1-benzofuran;hydride
CID 175140613
3-[azido(phenyl)methyl]chromen-4-one
CID 11380383
1-benzofuran-3-yl(methoxy)methanamine
CID 116947357
2-(1-benzofuran-3-yl)propan-1-ol
CID 23614436
1-(1-benzofuran-3-yl)-2-bromopropan-1-ol
CID 116863408
2-(1-benzofuran-3-yl)-2-(1H-pyrrol-3-yl)ethanamine
CID 116834499
2-(1-benzofuran-3-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 116824806
(R)-1-benzofuran-3-yl(thiophen-3-yl)methanol
CID 155933737

Frequently Asked Questions

What is the IUPAC name of 3-benzhydryl-1-benzofuran?
The IUPAC name of 3-benzhydryl-1-benzofuran (CID 53493031) is 3-benzhydryl-1-benzofuran.
What is the SMILES notation for 3-benzhydryl-1-benzofuran?
The canonical SMILES for 3-benzhydryl-1-benzofuran is c1ccc(C(c2ccccc2)c2coc3ccccc23)cc1.
What is the InChIKey of 3-benzhydryl-1-benzofuran?
The InChIKey is KIJAMHRXEOKKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-3-9-16(10-4-1)21(17-11-5-2-6-12-17)19-15-22-20-14-8-7-13-18(19)20/h1-15,21H.
What are the key properties of 3-benzhydryl-1-benzofuran?
3-benzhydryl-1-benzofuran has a molecular weight of 284.36 g/mol, XLogP of 5.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzhydryl-1-benzofuran is sourced from PubChem (CID 53493031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).